In the crystal structure, each RuII ion is coordinated by two Cl [Ru—Cl = 2.4308 (7) and 2.4139 (7) Å], two N [Ru—N = 2.016 (2) and 2.003 (2) Å], and two P [Ru—P = 2.3688 (7) and 2.3887 (7) Å] atoms in a distorted octahedral geometry. Packing interactions include typical C—H⋯π contacts involving phenyl groups as well as weak hydrogen bonds between CH3CN methyl H atoms and Cl or solvent CH3CN N atoms.The title compound, [RuCl DOI: 10.1107/S1600536807065968/ci2537Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The tetrafluoridoborate anions link the mononuclear cations through intermolecular C—H⋯F hydrogen-bonding interactions, forming an infinite tape structure along [110]. Other weak interactions occur: π–π stacking with centroid–centroid distances of 3.820 (2) and 3.898 (1) Å between pyridyl rings and 3.610 (2) and 3.926 (2) Å between pyrazinyl rings as well as F⋯π contacts involving the tetrafluoridoborate anions and pyrazine rings [F⋯centroid = 2.999 (3) Å]; these combine with the hydrogen-bonding interactions to link the mononuclear cations into a three-dimensional supramolecular architecture.In the title mononuclear complex, [Ag(C DOI: 10.1107/S1600536810035178/bg2359Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The central AgI ion is coordinated by two different N atoms in the aromatic rings of the ligands, with an N—Ag—N angle of 173.9 (2)°. The crystal structure is composed of two complexed cations and stabilized by an intermolecular N—H⋯O and N—H⋯N hydrogen-bond network and there is π–π stacking of the aromatic rings [interplanar distance 3.651 (10) Å].Colourless crystals of the title compound, [Ag(C DOI: 10.1107/S1600536809035181/jh2100Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, centrosymmetric dimers are formed through π–π interactions [centroid–centroid distance = 3.624 (2) Å] between the substituted ferrocene ring and the three fused rings of the naphthalic anhydride unit. Pairs of dimers are held together by further naphthalene–naphthalene π–π interactions [distance between parallel mean planes 3.45 (3) Å]. Each dimer interacts with four neighbouring dimers in a herringbone fashion through C—H⋯π interactions, so forming a two-dimensional sheet-like structure.In the structure of the title compound, [Fe(C DOI: 10.1107/S1600536808007393/su2047Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Mo—Mo distance is 2.5732 (4) Å. The perpendicular distances of the Mo atoms from the C7 planes are 1.5827 (8) and 1.5814 (8) Å, with individual Mo—C bond lengths in the range 2.261 (2)–2.2789 (14) Å. Mo—H distances range from 1.77 (3) to 1.85 (4) Å, with Mo—H—Mo angles of 89 (2) and 92 (1)°.In the title compound, [Mo DOI: 10.1107/S1600536808042244/bt2832Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CoII(TPP) complex exhibits a nearly planar conformation of the porphyrinate core [maximum deviation = 0.069 (2) Å] with an average Co—N distance of 1.971 (4) Å. The distance between the Co atom and the closest O atom of the 18-crown-6 molecule is 2.533 (2) Å, indicating a short non-bonded contact between the Co atom and the crown ether molecule. An ethylene group of the 18-crown-6 molecule is disordered over two sites with occupancies of 0.565 (7) and 0.435 (7).The asymmetric unit of the title compound, [Co(C DOI: 10.1107/S1600536810012080/pv2268Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle formed by the pyridine and benzene rings is 74.61 (5)°. Intramolecular C—H⋯O hydrogen bonds are present. The crystal structure is stabilized by weak aromatic π–π stacking interactions involving neighbouring pyridine rings [centroid–centroid distance = 3.853 (2) Å].In the mononuclear title complex, [Cu(C DOI: 10.1107/S1600536809029523/rz2354Isup2.hkl            Structure factors: contains datablocks I. DOI:


In the crystal structure, there is a weak π–π stacking interaction between adjacent 1,10-phenanthroline rings, with a pyridine centroid–centroid distance of 3.6620 (15) Å.In the title complex, [Zn(NCS) DOI: 10.1107/S1600536808011793/lh2603Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing is stabilized by π–π ; C—H⋯π⋯tolyl ring interactions are also present.In the molecule of the title compound, C DOI: 10.1107/S1600536808023222/dn2368Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized via intermolecular O—H⋯O and C—H⋯O hydrogen bonds, C—H⋯π interactions and π–π stacking interactions between the pyridine and benzene rings of neighboring phen ligands .In the title mononuclear complex, [Cu(C DOI: 10.1107/S1600536809053483/hy2263Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The N—Ni—N angle is 78.64 (8)°. Weak but significant π–π stacking interactions exist between the pyridine rings with a centroid–centroid distance of 3.652 (8) Å. In addition, four O atoms of the two carboxyl groups form hydrogen bonds with both coordinated and uncoordinated water molecules, forming an infinite three-dimensional network.In the title compound, [Ni(C DOI: 10.1107/S1600536809035910/ng2636Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The uncoordinated water molecules are involved in O—H⋯O and N—H⋯O hydrogen bonds, which contribute to the formation of a three-dimensional supramolecular structure, along with π–π stacking interactions [centroid–centroid distances of 3.5313 (13) and 3.6028 (11) Å between the pyridine rings of neighbouring dianions].In the title compound, (C DOI: 10.1107/S1600536808029395/cv2442Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cu—Cu distance is 2.6458 (4) Å. In the crystal structure, the dinuclear units are linked into a three-dimensional network by O—H⋯O, C—H⋯O and C—H⋯Cl hydrogen bonds. One of the Cl atoms is disordered over two positions with occupancies of 0.650 (2) and 0.350 (2).In the title binuclear copper(II) complex, [Cu DOI: 10.1107/S1600536808041986/ci2732Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An intramolecular C—H⋯O interaction forms an S(7) ring motif. The dihedral angles between the benzoate group and the other three phenyl rings are 76.94 (8), 66.82 (8) and 42.34 (9)°. The crystal structure is further stabilized by intermolecular C—H⋯π interactions.In the title compound, [Sn(C DOI: 10.1107/S1600536808036337/kp2195Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by weak non-classical intermolecular C—H⋯O hydrogen-bond interactions. The crystal structure also exhibits aromatic π–π stacking interactions between furan/benzene and benzene/benzene rings of adjacent benzofuran ring systems [centroid–centroid distances = 3.8258 (9) and 3.8794 (9) Å] and a weak intermolecular C—H⋯π ring interaction.In the title compound, C DOI: 10.1107/S1600536809030451/jj2003Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure exhibits aromatic π–π interactions between the benzene rings of adjacent molecules [centroid–centroid distance = 3.643 (2) Å] and nonclassical C—H⋯O hydrogen bonds.In the title compound, C DOI: 10.1107/S1600536809020613/cv2569Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


All six 4-methoxybenzoate ligands act in a bidentate mode, two coordinating to one Tb center each and the other four bridging two Tb centers [Tb⋯Tb separation = 4.3144 (6) Å]. In the crystal, intermolecular π–π interactions between the aromatic rings of 1,10-phenanthroline and 4-methoxybenzoate ligands [centroid–centroid distance = 3.742 (9) Å] link two molecules into a centrosymmetric dimer. Weak intermolecular C—H⋯O hydrogen bonds help to consolidate the crystal packing.In the title dinuclear complex, [Tb DOI: 10.1107/S1600536809037751/cv2614Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The four O atoms in the equatorial plane around the CoII ion form a slightly distorted square-planar arrangement with an average Co—O bond length of 2.086 Å; the slightly distorted octahedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a slightly longer distance [2.1603 (14) Å] in the axial positions. The dihedral angle between the carboxylate group and the attached benzene ring is 5.93 (13)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.09 (6)°. In the crystal structure, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. π–π Contacts between the benzene and pyridine rings [centroid–centroid distance = 3.758 (1) Å] may further stabilize the crystal structure.The asymmetric unit of the crystal structure of the title complex, [Co(C N,N-diethylnicotinamide, see: Bigoli et al. 2(H2O)4](C8H5O3)2·2H2O = 0.034                           wR(F                           2) = 0.074                           S = 0.98                           3780 reflections236 parameters9 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.36 e Å−3                        Δρmin = −0.41 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97 (Sheldrick, 2008SHELXL97 (Sheldrick, 2008Mercury (Macrae et al., 2006WinGX (Farrugia, 1999PLATON (Spek, 2009Data collection: 10.1107/S1600536809033200/xu2594sup1.cif            Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809033200/xu2594Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The anion is a six-coordinate complex with a distorted octahedral geometry around the FeIII atom. A wide range of non-covalent interactions, i.e. O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds, ion pairing, C—O⋯π [3.431 (2) Å] and C—H⋯π stacking interactions result in the formation of a three-dimensional network structure.In the title compound, (C DOI: 10.1107/S1600536810008597/su2166Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each Cu atom is coordinated by a bidentate chelating 2,2′-bipyridine ligand. A bridging cyanide anion links the two Cu units to form a binuclear unit. Adjacent binuclear units are connected by a thiocyanate anion into a one-dimensional helical chain along [010]. The cyanide anion is disordered, with each site occupied by both C and N atoms in an occupancy ratio of 0.61 (5):0.39 (5). The S atom of the thiocyanate anion is also disordered over two sites, with occupancy factors of 0.61 (3) and 0.39 (3). There are π–π interactions between the pyridyl rings of neighbouring chains [centroid–centroid distance = 3.82 (1) Å].The title compound, [Cu DOI: 10.1107/S1600536808037756/hy2162Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Numerous weak C—H⋯Cl hydrogen bonds between [AuCl4]− and the 1,3-benzothiazolium units form layers comprised of 24-membered rings in which hydrogen-bonded tetrahydrofuran (THF) solvent molecules are accommodated. C—H⋯Cl interactions between THF and [AuCl4]− from adjacent layers result in bilayers. These are further stabilized by π–π interactions between the thiazole and benzene rings [centroid–centroid distance = 3.971 (3) Å], resulting in the formation of a three-dimensional supramolecular assembly.In the crystal structure of the title ionic compound (C DOI: 10.1107/S1600536809003572/ng2541Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cu and Pd atoms are both located on centers of symmetry in an alternating array of [Cu(N-Eten)2]2+ (N-Eten = N-ethylethylenediamine) and [Pd(CN)4]2− units. The Pd—C distances of 1.991 (3) and 1.992 (3) Å are intermediate values compared with the analogous NiII and PtII complexes [Akitsu & Einaga  Å is noticeably longer than the equatorial distances [Cu—NH2 = 2.007 (2) and Cu—NHC2H5 = 2.050 (2) Å]. There are interchain hybrogen bonds, with N(—H)⋯N = 3.099(4) Å.The title compound, [CuPd(CN)naga 2007. Inorg.  DOI: 10.1107/S160053680900885X/bg2245Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


This results in a distorted cis-ZnO2N4 octahedral coordination geometry for the metal ion. In the crystal, molecules are expanded into a three-dimensional supramolecular motif via O—H⋯O, O—H⋯N and N—H⋯ hydrogen bonds. In addition, π–π stacking interactions between the aromatic rings of the polycyclic ligands consolidate the sturcture [shortest centroid–centroid distance = 3.501 (2) Å].In the title compound, [Zn(C DOI: 10.1107/S1600536809039154/hb5120Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The three phosphine-substituted benzene rings make dihedral angles of 77.7 (3), 84.4 (3) and 77.4 (3)° with each other. Two of the three F atoms are disordered over two positions, with refined site occupancies of 0.591 (11):0.409 (11) and 0.730 (12):0.270 (12). In the crystal structure, molecules are linked into a three-dimensional network by intermolecular C—H⋯Cl and C—H⋯F hydrogen bonds.In the title gold complex, [AuCl(C DOI: 10.1107/S1600536810034896/fj2329Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ZnII atoms are four-coordinated in distorted tetrahedral configurations by two N atoms from 5,5′-dimethyl-2,2′-bipyridine and two terminal Cl atoms. In the crystal structure, intermolecular C—H⋯Cl hydrogen bonds link the molecules. There are C—H⋯π contacts between the methyl groups and the pyridine and five-membered rings containing ZnII atoms; π–π contacts also exist between the pyridine rings [centroid–centroid distances = 3.665 (5) and 3.674 (5) Å].The asymmetric unit of the title compound, [ZnCl DOI: 10.1107/S1600536808027104/hk2517Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the complex, the two cyclopentadienyl (Cp) rings are almost parallel with a dihedral angle of 1.36 (8)°, and are separated by a centroid–centroid distance of 3.299 (2) Å. In the crystal, adjacent molecules are linked into a one-dimensional supramolecular structure via weak C—H⋯π interactions between the Cp ring H atom and the Cp ring.The title compound, [Fe(C DOI: 10.1107/S1600536810005155/hy2280Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ZrIV centre is in a distorted tetrahedral environment defined by two Cp rings of chelating organic ligands and two Br anions. Two five-membered rings form a dihedral angle of 59.7 (2)°. Unequal Zr—C bonds [2.471 (3)–2.556 (3) Å] in the molecule indicate that the interaction of the central metal with the [(C5H4)2SiMe2]2− ligand contains noticeable η3-allyl and η2-olefin contributions.The title molecule, [ZrBr DOI: 10.1107/S1600536808040713/cv2494Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Ru—Cl distances are 2.4161 (7) and 2.4317 (7) Å, the Ru—O distance is 2.1540 (19) Å, and the Ru—S distances are in the range 2.2254 (8)–2.2657 (7) Å, with the shortest being that trans to the aqua ligand. The coordinated water molecule forms intermolecular hydrogen bonds with Cl and sulfoxide O atoms.The title molecule, [RuCl DOI: 10.1107/S1600536809000439/pv2128Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The almost planar thiopyranoindolethione ring system  makes a dihedral angle of 80.70 (8)° with the p-tolyl ring. In the crystal, molecules are connected via C—H⋯O hydrogen bonds into two chains along the b axis. These chains are connected via π–π interactions between symmetry-related thiopyranoindolethione ring systems [centroid–centroid distance = 3.588 (1) Å].The title compound, C DOI: 10.1107/S1600536810038201/bt5362Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Molecules are linked by C—H⋯N and C—H⋯O hydrogen bonds and by π–π interactions with interplanar distances of 3.2661 (6) and 3.2775 (6) Å.In the title compound, C DOI: 10.1107/S160053680803941X/fj2169Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each [CuBr4]2− anion is connected non-symmetrically to four surrounding cations through N—H⋯X (pyridine and amine proton) hydrogen bonds, forming chains of the ladder-type running parallel to the crystallographic b axis. These layers are further connected by means of offset face-to-face interactions , giving a three-dimensional network. Cation π–π stacking [centroid separations of 3.69 (9) and 3.71 (1) Å] and Br⋯aryl interactions [3.72 (2) and 4.04 (6) Å] are present in the crystal structure. There are no intermolecular Br⋯Br interactions.In the crystal structure of the title compound, (C DOI: 10.1107/S1600536808010647/at2561Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the cations and anions are linked by N—H⋯O and N—H⋯N hydrogen bonds, forming a layer network parallel to the ac plane. Weak π–π interactions between adjacent pyridine rings with a centroid–centroid distance of 3.589 (2) Å are also present.In the dication of the title salt, C DOI: 10.1107/S1600536809038689/ng2649Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecule contains an inversion center in the middle of the Ge4O2 ring which is in a chair conformation. The Ge—Ge bond distance is 2.4418 (5) Å and the Ge—O bond distances are 1.790 (2) and 1.785 (2) Å. The torsion angles within the Ge4O2 ring are −56.7 (1) and 56.1 (1)° for the Ge—Ge—O—Ge angles and −43.9 (1)° for the O—Ge—Ge—O angle.The title compound, C DOI: 10.1107/S1600536809032012/lh2875Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The compound displays intramolecular C—H⋯Cl hydrogen bonds and pairs of complex molecules are connected by intermolecular C—H⋯Cl hydrogen bonds. Intermolecular π–π interactions are present between the pyridine rings of the ligand, the shortest centroid–centroid distance being 4.096 (3) Å. As a result of the electronic nature of the chelate ring, it is possible to create π–π interactions to its symmetry-related counterpart [3.720 (2) Å] and also with a pyridine ring [3.570 (3) Å] of the bipy unit. The present structure is a redetermination of a previous structure [Vicente et al. (1997In the title compound, [PdCl al. 1997. Private X            2(bipy)] (X = Cl or Br), see: Maekawa et al. ]·CH2Cl2                         = 0.044                           wR(F                           2) = 0.097                           S = 1.05                           2862 reflections203 parametersAll H-atom parameters refinedmax = 0.56 e Å−3                        Δρmin = −0.69 e Å−3                        Δρ                                 SMART  used to solve structure: SHELXS97 (Sheldrick, 2008SHELXL97 (Sheldrick, 2008ORTEP-3 (Farrugia, 1997PLATON (Spek, 2009SHELXL97.Data collection: 10.1107/S1600536809016262/kp2220sup1.cif            Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809016262/kp2220Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, 2-amino-3-(1H-indol-3-yl)propionic acid molecules and pyridine-2,4-dicarboxylic acid molecules are linked through strong intermolecular O—H⋯O and N—H⋯O hydrogen bonds, forming layers parallel to (100). The layers are linked through the ethanol molecules via somewhat weaker intermolecular O—H⋯O and N—H⋯O hydrogen bonds, forming thus a three-dimensional network. Weak C—H⋯O and N—H⋯N hydrogen bonding and π–π interactions between the aromatic rings are also present.In the title compound, C DOI: 10.1107/S1600536810014017/fb2190Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by O—H⋯O and C—H⋯O hydrogen bonds and π–π interactions between the 1,10-phenanthroline ligands and 5-chlorosalicylate ligands, with a centroid–centroid distance between neighbouring aromatic rings of 3.730 (1) Å.In the title complex, [Cd(C DOI: 10.1107/S1600536808015687/wn2261Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The seven donor atoms of the (pydc)2− groups and the hydroxido ligands form a distorted pentagonal–bipyramidal arrangement around the SbIII/SbV centers. C—H⋯π stacking interactions between CH groups of the complex dianion and the aromatic rings of the + cations, with a distance of 2.89 Å, are observed. In the crystal structure, a wide range of noncovalent interactions, consisting of O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds [D⋯A ranging from 2.722 (2) to 3.137 (3) Å], ion pairing, π–π stacking [centroid–centroid distance of 3.4363 (13) Å] and C—H⋯π interactions, connect the various components into a supramolecular structure.The reaction of antimony(III) chloride, 4,4′-bipyridine  and pyridine-2,6-dicarboxylic acid (pydcH DOI: 10.1107/S1600536808001372/su2034Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


All three bidentate ligands have coordinating ring systems that are almost coplanar [interplanar angles = 1.7 (1)–3.8 (2)°]. The vinylbenzyl group is disordered over two positions with occupations of 0.653 (4) and 0.347 (4). The methanol solvent molecule is involved in a classical O—H⋯N hydrogen bond to a triazole N atom.In the title compound, [Ir(C DOI: 10.1107/S1600536809052726/tk2595Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The torsion angle for the Te—Re—Te—Re sequence of atoms is 17.06 (3)°. The crystal structure is stabilized by weak C—H⋯O and C—H⋯π interactions. In addition, there are Te⋯Te distances [4.0392 (12) Å] and O⋯O distances [2.902 (19) Å] which are shorter than the sum of the van der Waals radii for these atoms. A short intermolecular lone pair⋯π distance [C O⋯Cg = 3.31 (2) Å] is also observed.In the title complex, [Re DOI: 10.1107/S1600536810012389/lh5009Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by aromatic π–π interactions, with centroid–centroid distances of 3.765 (5) and 3.896 (5) Å between the phenyl ring and the benzene ring of the chromene unit of neighbouring molecules. In addition, the stacked molecules exhibit inter- and intramolecular O—H⋯O hydrogen bonds, including the uncoordinated water molecules.In the title compound, [Ca(C DOI: 10.1107/S1600536808037586/lx2072Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two EuIII ions are linked by four bridging benzoate ions, with an Eu⋯Eu distance of 3.96041 (12) Å. Each EuIII ion is coordinated by one phenanthroline heterocycle and a bidentate benzoate ion. The irregular nine-coordinated geometry of the metal ion is composed of seven O and two N atoms. The molecular structure is stabilized by intramolecular C—H⋯O hydrogen bonds. In the crystal structure, molecules are linked into chains by intermolecular C—H⋯O hydrogen bonds along the a axis. The crystal structure is further stabilized by intermolecular C—H⋯O and C—H⋯π interactions. Weak π–π interactions are also observed [centroid–centroid distances = 3.6962 (10)–3.6963 (10) Å].The asymmetric unit of the title complex, [Eu For rel al. 1999, 2002 ▶;2(C7H5O2)6(C12H8N2)2]·2C7H6O2                         = 0.020                           wR(F                           2) = 0.050                           S = 1.04                           12557 reflections464 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.62 e Å−3                        Δρmin = −0.44 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXTL (Sheldrick, 2008SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009Data collection: 10.1107/S1600536810015229/rz2435sup1.cif            Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810015229/rz2435Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


All intramolecular distances and angles are similar for the two structures. This applies also for the intermolecular forces, consisting of O—H⋯O and N—H⋯O hydrogen bonds and π–π interactions [with centroid–centroid distances of 3.428 (2) and 3.579 (2) Å], that lead to a cohesion of the structure.The title compound, (C DOI: 10.1107/S1600536809022053/pv2161Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The main geometric parameters are Pt—N = 1.960 (5) Å, and Pt—Cl = 2.3177 (12) and 2.3196 (12) Å. The N C bond is a typical triple bond [1.137 (7) Å]. The Pt—N C—C unit is almost linear, with Pt—N—C and N—C—C angles of 174.6 (4) and 177.1 (6)°, respectively.In the title compound, [PtCl DOI: 10.1107/S1600536809016535/pv2142Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, intermolecular bifurcated N—H⋯ hydrogen bonds connect the molecules into chains propagating along [100]. Adjacent chains interact by strong aromatic π–π stacking interactions, with a centroid–centroid distance of 3.483 (2) Å.In the title compound, [Pb(NO DOI: 10.1107/S1600536808041317/hb2871Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The conformations of the two crystallographically independent molecules are slightly different: in A, the Cu⋯Cu separation is 4.174 (9) Å and the dihedral angle between the triazole and phenyl rings is 74.23 (11)°; these values are 4.137 (9) Å and 68.58 (13)°, respectively, in B. In each molecule, the copper(II) ions have a distorted trigonal–bipyramidal coordination geometry with a CuCl2NN′N′′ chromophore. The crystal packing exhibits weak intermolecular C—H⋯Cl interactions.The asymmetric unit of the title compound, [Cu DOI: 10.1107/S160053680804035X/cv2472Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The K⋯O distances range from 2.8416 (8) to 3.0025 (8) Å, and the two K⋯N distances are 2.7441 (11) and 2.7654 (11) Å. The K cation is displaced by 0.8437 (4) Å from the best plane through the six O atoms. The latter plane is almost perpendicular to the plane of the pyrazolate ring [dihedral angle 83.93 (3)°].The asymmetric unit of the title compound, [K(C DOI: 10.1107/S1600536808043237/rz2281Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The other Sn atom has a bent R               2Sn skeleton [C—Sn—C = 144.0 (1)°], but the geometry is best regarded as being a trans-C2SnO4 octahedron as the Sn–O(single bond) interaction is shorter [Sn—O = 2.674 (1) Å].In the centrosymmetric tetranuclear title compound, [Sn DOI: 10.1107/S1600536808023787/tk2287Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Both the phosphine and arsine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. All three cyclohexane rings are disordered over two positions with site occupancies of 0.628 (6) and 0.372 (6). The mean planes of these three phosphine-substituted cyclohexane rings make dihedral angles of 53.0 (8), 68.3 (6) and 89.9 (7)° (major components), and 46.7 (14), 41.3 (11) and 75.8 (10)° (minor components) with each other. The dihedral angles between the two phenyl rings are 85.0 (2) and 88.1 (2)° for the two diphenylarsino groups. Two cyclohexane rings adopt a chair conformation whereas the other adopts a slightly twisted chair conformation for the major components; these conformations are similiar for the minor components. Intramolecular C—H⋯O hydrogen bonds stabilize the molecular structure. In the crystal packing, the molecules are linked together into chains via intermolecular C—H⋯O hydrogen bonds down the a axis. Weak intermolecular C—H⋯π interactions further stabilize the crystal structure.In the title  DOI: 10.1107/S1600536809047977/sj2677Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal structure is stabilized by a combination of weak π–π stacking interactions between symmetry-related 1,10-phenanthroline ligands [centroi–centroid distance between benzene rings = 3.5936 (18) Å] and weak O—H⋯S, C—H⋯O and C—H⋯S hydrogen bonds between methanol and complex molecules.In the title complex, [Ni(NCS) DOI: 10.1107/S1600536808011811/lh2613Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each DyIII ion is coordinated by six O atoms and two N atoms from two pyridine-2,6-dicarboxylate and two 6-carboxypicolinate ligands, displaying a bicapped trigonal-prismatic geometry. The average Dy—O bond distance is 2.40 Å, some 0.1Å longer than the corresponding Ho—O distance in the isotypic holmium complex. Adjacent DyIII ions are linked by the pyridine-2,6-dicarboxylate ligands, forming a layer in (100). These layers are further connected by π–π stacking interactions between neighboring pyridyl rings [centroid–centroid distance = 3.827 (3) Å] and C—H⋯O hydrogen-bonding interactions, assembling a three-dimensional supramolecular network. Within each layer, there are other π–π stacking interactions between neighboring pyridyl rings [centroid–centroid distance = 3.501 (2) Å] and O—H⋯O and C—H⋯O hydrogen-bonding interactions, which further stabilize the structure.In the title complex, [Dy(C DOI: 10.1107/S1600536809039075/sj2654Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are stacked alternately in opposite orientations, forming a one-dimensional column parallel to [110]. The primary interactions between molecules comprising the columns are of the S⋯S type [3.554 (1) Å]. Interactions between columns are of the S⋯S type [3.411 (1) along b and 3.444 (1) Å along c], as well as S⋯I contacts [3.435 (2) Å].The molecular framework of the title compound, C DOI: 10.1107/S1600536809044493/tk2559Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


These units are connected via the carboxylate O atoms and water molecules, building polymeric layers parallel to (100). In the crystal structure, non-covalent interactions consisting of O—H⋯O hydrogen bonds and π–π stacking interactions [centroid–centroid distances = 3.862 (17) and 3.749 (17) Å] connect the various components, forming a three-dimensional structure.In the title polymeric complex, [Sr(C DOI: 10.1107/S160053680902683X/pv2167Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each CuI atom is tetrahedrally coordinated by three I atoms and one N atom of an benzyldimethylamine ligand. Each I atom acts as a μ3-ligand, linking three CuI atoms. The Cu—I bond distances vary between 2.6328 (7) and 2.7121 (6) Å, while the Cu—N bond distances vary between 2.107 (3) and 2.122 (3) Å.The title compound, [Cu DOI: 10.1107/S1600536809026208/fj2223Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII atom exhibits a six-coordinated distorted octahedral geometry with two N atoms from the phenanthroline ligand [Cu—N 2.007 (2) Å] and four O atoms from two 3,4-dimethoxybenzoate ligands [Cu—O 1.950 (1) and 2.524 (1) Å]. The difference in Cu—O bond distances indicates a strong Jahn–Teller effect. In the crystal, C—H⋯π interactions result in chains of molecules along the c axis.The asymmetric unit of the title compound, [Cu(C DOI: 10.1107/S1600536809052234/ez2194Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The phenyl rings are rotated out of the benzofuran planes, making dihedral angles of 43.38 (7) and 56.13 (6)° in the two molecules. The carboxyl groups are involved in inversion-related intermolecular O—H⋯O hydrogen bonds, which link the molecules into centrosymmetric dimers. These dimers are further packed into stacks along the b axis by weak non-classical intermolecular C—H⋯O hydrogen bonds. The crystal structure also exhibits intermolecular C—H⋯π interactions, and two aromatic π–π interactions between the furan rings of neighbouring benzofuran systems; the centroid–centroid distances are 3.500 (3) and 3.605 (3) Å.The title compound, C DOI: 10.1107/S160053680903253X/nk2002Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cu atom is five-coordinated in a distorted trigonal-bipyramidal geometry by two phen molecules and one bromide ligand, which coordinates in the equatorial plane at a distance of 2.5228 (4) Å and lying along with the Cu and the amide N atoms on a twofold rotation axis. The two axial Cu—N distances [1.9926 (15) Å] are slightly shorter than the two equatorial Cu—N bonds [2.0979 (15) Å]. The structure is stabilized by a weak C—H⋯N hydrogen bond, with a cyanide N atom of the dicyanamide ligand as an acceptor, and π–π interactions between nearly parallel phenyl and pyridine rings of two adjacent phen molecules [centroid–centroid distance = 3.589 (1) Å], and between π electrons of the dicyanamide anion and the pyridine ring .The title compound, [CuBr(C For pen al. 1984. For a d al. 1984. For ref al. 1984.       12H8N2)2]C2N3                         = 0.021                           wR(F                           2) = 0.062                           S = 1.06                           2182 reflections160 parametersH-atom parameters constrainedmax = 0.29 e Å−3                        Δρmin = −0.43 e Å−3                        Δρ                                 CrysAlis CCD  used to solve structure: SHELXS97 (Sheldrick, 2008SHELXL97 (Sheldrick, 2008DIAMOND (Brandenburg, 2001SHELXL97.Data collection: 10.1107/S1600536810037979/kp2274sup1.cif            Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810037979/kp2274Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The C—P bond lengths are 1.8824 (19) and 1.8991 (19) Å. The P—C—P angle of 109.69 (9)° is essentially equal to the expected value of 109.5° for a tetrahedral C atom. Although the C(methine)—P—C(aromatic) bond angles range from 102.67 (9) to 107.04 (9)°, the C(aromatic)—P—C(aromatic) bond angles of 96.72 (9) and 97.29 (9)° are significantly smaller. The steric demands of the o-tolyl groups cause deviations from the bond lengths and angles reported for its phenyl analog.The complete molecule of title compound, C DOI: 10.1107/S1600536809032942/ng2629Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A water molecule cocrystallizes with the coordination compound and may be held in the crystal by O—H⋯O hydrogen bonds. Heteroatomic π–π ring interactions may be present between symmetry-related complexes, with centroid–centroid distances of 3.5661 (8) Å.In the title complex, [Co(C DOI: 10.1107/S1600536809021540/cs2106Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Adjacent stacked molecules exhibit a carbonyl–carbonyl interaction [3.295 (2) Å]. The O atom of the methylsulfinyl group is disordered over two positions with site-occupancy factors of 0.9 and 0.1.Molecules of title compound, C DOI: 10.1107/S1600536808034466/ng2503Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each CrIII atom is hexacoordinated by four O and two N atoms from two (hypydc)2− fragments, which act as tridentate ligands, in a distorted octahedral geometry. The O—Cr—O—C torsion angles between the two planes of the (hypydc)2− fragments [−99.81 (17) and 97.77 (17)°] indicate that these two units are almost perpendicular to one another. In the crystal structure, extensive O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds with D⋯A distances ranging from 2.560 (2) to 3.279 (3) Å, ion pairing, C—O⋯π [O⋯π = 3.166 (2) Å] and π–π stacking interactions between (hypydc)2− and (pydaH)+ rings [with a centroid–centroid distance of 3.3353 (14) Å] contribute to the formation of a three-dimensional supramolecular structure.The reaction of chromium(III) nitrate hexahydrate, pyridine-2,6-diamine and 4-hydroxypyridine-2,6-dicarboxylic acid in a 1:2:2 molar ratio in aqueous solution resulted in the formation of the title compound, (C DOI: 10.1107/S1600536808027347/ym2072Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit contains one molecule of the complex and half a water solvent molecule. The solvent water molecule lies on a crystallographic twofold rotation axis. An intermolecular O—H⋯O hydrogen bond forms an R               2               1(4) ring motif involving a bifurcated hydrogen bond to the phenolate O atoms of the complex. In the crystal structure, molecules are linked by π–π stacking interactions, with centroid–centroid distances in the range 3.5310 (11)–3.7905 (12) Å, forming extended chains along the b axis. In addition, there are Ni⋯Ni and Ni⋯N interactions  which are shorter than the sum of the van der Waals radii of the relevant atoms. Further stabilization of the crystal structure is attained by weak intermolecular C—H⋯O and C—H⋯π interactions.In the title complex, [Ni(C DOI: 10.1107/S1600536808023362/lh2663Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit of the title compound comprises one-half of the complex molecule and one of the water molecules of crystallization. The water H atoms form bifurcated O—H⋯ hydrogen bonds with the O atoms of the phenolato and ethoxy groups with R               1               2(5) and R               1               2(6) ring motifs. The dihedral angle between the central benzene ring and the two outer benzene rings are 4.07 (11) and 3.99 (12)°. The dihedral angle between the two O–Ni–N coordination planes is only 0.77 (11)°. In the crystal structure, the molecules are linked together into extended chains along the c axis by intermolecular O—H⋯O and C—H⋯O interactions. An interesting feature of the crystal structure is a short intermolecular C ⋯ C [3.355 (3) Å] contact, which is shorter than the sum of the van der Waals radii. The crystal structure may be further stabilized by intermolecular π–π interactions [centroid–centroid distances in the range 3.5758 (13)–3.6337 (13) Å]. In the title complex, [Ni(C DOI: 10.1107/S1600536809012641/cs2114Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, centrosymmetric dimers are formed though O—H⋯O and O—H⋯Cl hydrogen bonds; π–π stacking interactions, with a centroid–centroid distance of 3.796 (2) Å, are also found.In the title compound, [Ni(C DOI: 10.1107/S1600536808022939/lh2644Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the cation, the Cu2+ ion is coordinated by four N atoms from two bidentate 2,2′-bipyridine molecules and an N atom from an isothiocyanate anion, resulting in a distorted CuN5 pyramidal configuration. The crystal structure is stabilized by weak intermolecular C—H⋯O and C—H⋯S hydrogen bonds, and weak π–π interactions between 2,2′-bipyridine rings [centroid–centroid distance = 3.908 (4) Å]. The perchlorate counteranion is disordered over two positions in a 0.66:0.34 ratio.The asymmetric unit of title compound, [Cu(NCS)(C DOI: 10.1107/S1600536809031067/at2856Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Ca2+ ions are bridged by 2-chloronicotinate groups and exhibit an eight-coordination by six carboxylate O atoms of four different 2-chloronicotinate ligands and two O atoms of water molecules. In the crystal structure, intermolecular O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds result in the formation of a supramolecular network structure. The π–π contacts between the 2-chloronicotinate rings [centroid–centroid distances = 3.875 (3) and 3.701 (3) Å] may further stabilize the structure. The itle compound, [Ca(C DOI: 10.1107/S1600536808044267/hk2578Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The L ligands chelate the LaIII ion with strong La—O(deprotonated phenolic) bonds [2.435 (3)–2.464 (3) Å] and significantly longer La—O(methoxy) bonds [2.801 (3)–2.831 (3) Å]. The La—N bond lengths range from 2.541 (4) to 2.605 (4) Å.In the title compound, [La(NCS) DOI: 10.1107/S1600536809049113/pv2228Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The two rings are almost parallel and are eclipsed and ordered. The conjugated substituent is slightly twisted with respect to the cyclopentadiene ring. The crystal structure contains four intermolecular C—H⋯O hydrogen-bonds in the range 3.324 (3)–3.539 (3) Å and one π(aryl ring)–π (Cp ring) stacking interaction with a ring–centroid distance of 3.894 (2) Å.In the title compound, [Fe(C DOI: 10.1107/S1600536808027815/om2257Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The plane containing the thiocarbonyl and carbonyl groups subtends dihedral angles of 48.19 (3) and 87.51 (3)° with the planes formed by the 3-chloro and 2,6-dichlorophenyl rings, respectively; the dihedral angle between the two benzene ring planes is 45.32 (3)°. An intramolecular N—H⋯O hydrogen bond stabilizes the molecular conformation and the molecules form intermolecular N—H⋯S and N—H⋯O hydrogen bonds, generating a sheet along the a axis.The structure of the title compound, C DOI: 10.1107/S1600536808043444/pv2127Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


One of the Cp rings is disordered over two positions with occupancies of 0.55 and 0.45. The dihedral angle between the substituted Cp rings is 56.1 (5)° and the two phenyl rings are orientated at a dihedral angle of 41.7 (4)°. In the crystal structure, intermolecular O—H⋯S, N—H⋯O and C—H⋯N hydrogen bonds link the molecules into chains along the b axis. The structure is further consolidated by O—H⋯π interactions.In the title compound, [Fe DOI: 10.1107/S1600536809046078/ci2959Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Intramolecular N—H⋯O hydrogen bonds occur. The crystal packing exhibits weak intermolecular C—H⋯S hydrogen bonds, π–π interactions with a distance of 3.904 (7) Å between the centroids of the aromatic rings, and voids of 101 Å3.In the title compound, [Nd(NCS) DOI: 10.1107/S1600536809053124/cv2653Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The trinuclear molecules, with an intramolecular Cu⋯Cu separation of 6.313 (3) Å, are linked to each other, forming a chain through O—H⋯O and O—H⋯Br hydrogen bonds involving the half-occupied water molecule. Futhermore, weak C—H⋯O interactions link the chains to form a supramolecular network.The title complex, [Cu DOI: 10.1107/S1600536809014263/dn2446Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The phenyl ring makes a dihedral angle of 83.64 (4)° with the mean plane of the 5,6-(methylenedioxy)benzofuran fragment. The crystal structure is stabilized by C—H⋯π interactions between a benzene H atom of the 5,6-(methylenedioxy)benzofuran unit and the phenyl ring of the phenylsulfonyl substituent. Additionally, the crystal structure exhibits inter- and intramolecular C—H⋯O interactions.The title compound, C DOI: 10.1107/S160053680800980X/bh2167Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There are two uncoordinated water molecules in the structure. The asymmetric unit of the compound has two different coordination types  of ZnII in the crystal structure that are bridged to each other via one hypydc2− group . A variety of intermolecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds involving water molecules, cations and anions, and also a weak π–π interaction [3.798 (1) Å], are responsible for extending the structure into a three-dimensional network.The title compound, (CH DOI: 10.1107/S1600536808003930/om2211Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The four nearest O atoms around each CuII ion form a distorted square-planar arrangement, and the distorted square-pyramidal coordination is completed by the pyridine N atom of the isonicotinamide (INA) ligand. Each CuII ion is displaced by 0.2633 (1) Å from the plane of the four O atoms, with an average Cu—O distance of 1.974 (2) Å. The dihedral angles between carboxylate groups and the adjacent benzene rings are 7.88 (19) and 9.68 (10)°, while the benzene rings are oriented at a dihedral angle of 85.90 (9)°. The pyridine ring is oriented at dihedral angles of 8.59 (7) and 83.89 (9)° with respect to the benzene rings. In the crystal structure, intermolecular N—H⋯O hydrogen bonds link the molecules into a three-dimensional network. π–π contacts between the benzene rings and between the pyridine and benzene rings,  may further stabilize the crystal structure.In the title centrosymmetric binuclear complex, [Cu N,N-diethylnicotinamide, see: Bigoli et al. 4(C6H6N2O)2] = 0.043                           wR(F                           2) = 0.087                           S = 1.01                           5101 reflections281 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.47 e Å−3                        Δρmin = −0.70 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97 (Sheldrick, 2008SHELXL97 (Sheldrick, 2008ORTEP-3 for Windows (Farrugia, 1997WinGX (Farrugia, 1999PLATON (Spek, 2009Data collection: 10.1107/S1600536810006513/xu2729sup1.cif            Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810006513/xu2729Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecule is centrosymmetric; the pairs of equivalent ligands coordinate trans to each other in a distorted octahedral geometry. Intramolecular C—H⋯O bonds lying in the equatorial plane stabilize the molecule. In the crystal, molecules are linked by O—H⋯O and C—H⋯O hydrogen bonds, creating a three-dimensional supramolecular structure. π–π and C—H⋯π interactions are also observed. The dihedral angle and centroid-to-centroid distance between the pyridine ring (A) and the benzene ring (B               i) of a symmetrically related molecule  are 1.27 (11)° and 3.974 (2) Å, respectively. For the C—H⋯π interactions, the relevant distances and angles are: C⋯Cg[A               ii] = 3.643 (2) Å, H⋯Cg[A               ii] = 2.750 (2) Å and C—H⋯Cg[A               ii] = 155 (1)° .The title compound, [Mn(C II complexes with the quinoline-2 carboxylate ligand, see: Okabe &Koizumi 2(CH4O)2] = 0.034                           wR(F                           2) = 0.089                           S = 0.98                           1924 reflections146 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.37 e Å−3                        Δρmin = −0.31 e Å−3                        Δρ                                 CrysAlis CCD  used to solve structure: SHELXTL-NT (Sheldrick, 2008SHELXTL-NT; molecular graphics: SHELXTL-NT; software used to prepare material for publication: SHELXTL-NT.Data collection: 10.1107/S1600536808031905/su2065sup1.cif            Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808031905/su2065Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The environment around the Ho atom can be described as a distorted bicapped square antiprism. Two phenanthroline ligands form a dihedral angle of 43.72 (13)°. Short intermolecular distances between the centroids of the six-membered rings [3.6887 (14)–3.8374 (16) Å] indicate the existence of π–π interactions, which link the molecules into stacks extended in the [10In the title compound, [Ho(NO DOI: 10.1107/S1600536808020655/cv2423Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II complex, [Zn(C9H10NO2)2(C6H6N2O)(H2O)2], contains two 4-(dimethylamino)benzoate (DMAB) ligands, one isonicotinamide (INA) ligand and two water molecules; one of the DMAB ions acts as a bidentate ligand while the other and INA are monodentate ligands. The four O atoms in the equatorial plane around the Zn atom form a distorted square-planar arrangement, while the distorted octahedral coordination is completed by the N atom of the INA ligand and the O atom of the water molecule in the axial positions. Intramolecular C—H⋯O hydrogen bonding results in the formation of a six-membered ring adopting an envelope conformation. The dihedral angle between the carboxyl groups and the adjacent benzene rings are 4.87 (16) and 2.2 (2)°, while the two benzene rings are oriented at a dihedral angle of 65.13 (8)°. The dihedral angle between the benzene and pyridine rings are 11.47 (7) and 74.83 (8)°, respectively. In the crystal structure, intermolecular O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds link the molecules into a supramolecular structure. π–π contacts between the pyridine and benzene rings and between the benzene rings  further stabilize the structure. Weak intermolecular C—H⋯π interactions are also present.The molecule of the title Zn DOI: 10.1107/S1600536809017620/xu2522Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordinated water molecule is involved in intermolecular O—H⋯O hydrogen bonding, which links the complex molecules into chains propagating along the c axis. Neighbouring chains interact further via π–π interactions between the aromatic rings of 1,10-phenanthroline fragments [centroid–centroid distances = 3.726 (4) and 3.750 (4) Å].The asymmetric unit of the title compound, [Cu(C DOI: 10.1107/S1600536809024428/cv2568Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 4-tolyl ring makes a dihedral angle of 70.96 (6)° with the plane of the naphthofuran fragment. The crystal structure is stabilized by aromatic π–π stacking interactions, with centroid–centroid distances of 3.672 (3) and 3.858 (3) Å between the central benzene and furan rings, and between the brominated benzene and central benzene rings of the naphthofuran system of neighbouring molecules, respectively. In addition, the stacked molecules exhibit C—H⋯π and inter- and intramolecular C—H⋯O interactions.The title compound, C DOI: 10.1107/S1600536808015286/at2569Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by intermolecular N—H⋯O and N—H⋯N hydrogen bonds and π–π stacking interactions of the aromatic rings of the two ligands [interplanar distance = 3.652 (10) Å]. The AgI atom shows a linear coordination [N—Ag—N = 174.6 (1)°].Colourless crystals of the title mixed ligand complex, [Ag(C DOI: 10.1107/S1600536809035193/ng2621Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II complex, [Co(C5H3N2O4)2(H2O)4]·2H2O, the CoII ion is located on an inversion center and is coordinated by two orotate  anions and four water molecules in a slightly distorted octahedral geometry. The dihedral angle between the carboxylate group and the attached orotate ring is 1.2 (3)°. In the crystal structure, intermolecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. π–π contacts between the orotate rings [centroid–centroid distances = 3.439 (2) and 3.438 (2) Å] further stabilize the structure.In the title Co DOI: 10.1107/S1600536810015837/xu2754Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There is a π–π contact between pyridine rings of adjacent molecules [centroid–centroid distance = 3.723 (5) Å].In the molecule of the title compound, [HgI DOI: 10.1107/S160053680802953X/hk2531Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination geometry for Cd is distorted octahedral based on a cis-N2S4 donor set. In the crystal structure, molecules are connected into a supramolecular chain aligned along the a direction via C—H⋯S and C—H⋯π contacts, and by π–π contacts [centroid-to-centroid distance 3.5708 (15) Å]. The n-propyl groups are each disordered, one equally over two sites and the other with a site-occupancy factor of 0.618 (8) for the major component. The dinuclear centrosymmetric title compound, [Cd DOI: 10.1107/S1600536808025889/ng2485Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Both P atoms have a trigonal–pyramidal conformation. There is a short intramolecular C—H⋯P contact with an H⋯P distance of 2.56 Å. The hydroxy group is involved in an intramolecular O—H⋯πphenyl interaction. The crystal packing shows five very weak intermolecular C—H⋯π contacts, with H⋯Cg distances between 3.26 and 3.39 Å (Cg is the centroid of a phenyl or cyclopentadienyl ring).The absolute configuration of the title compound, [Fe(C DOI: 10.1107/S1600536808038294/nc2123Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular C—H⋯O hydrogen bonds link neighbouring molecules into a one-dimensional supramolecular structure with an R22(14) ring motif. This structure is further stabilized by π–π stacking interactions between adjacent benzene rings [centroid–centroid distance = 3.862 (1) Å].In the title centrosymmetric mononuclear copper(II) complex, [Cu(C DOI: 10.1107/S1600536809047989/hy2253Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Intermolecular C—H⋯O hydrogen bonds form an eight-membered R               2               2(8) motif. The dihedral angle betwen two benzene rings is 36.34 (9)°. There are intermolecular Cu⋯Br [3.4566 (5) Å] and Cu⋯·N [3.569 (3) Å] contacts, which are significantly shorter than the sum of van der Waals radii of the relevant atoms. These interactions, along with the intermolecular C—H⋯π and π–π [centroid–centroid distances of 3.709 (1) and 3.968 (2) Å] interactions, link neighbouring molecules into a one-dimensional infinite chain along the c axis.In the title compound, [Cu(C DOI: 10.1107/S1600536808036635/hy2161Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The geometries of the protonated aminopyridinium cations reveal amine–imine tautomerism. The crystal packing is influenced by N—H⋯Cl and C—H⋯Cl hydrogen bonds and π–π stacking interactions [centroid–centroid distances = 3.635 (4) and 3.642 (4)°].The title compound, (C DOI: 10.1107/S160053680904923X/kp2235Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The dihedral angle between the mean planes of the two aromatic rings is 6.16 (6)°. In the crystal, pairs of intermolecular weak C—H⋯O hydrogen bonds link neighboring molecules into a chain along the a axis. The crystal structure is further stabilized by two intermolecular π–π interactions with centroid–centroid distances of 3.7252 (13) and 3.8323 (13) Å.In the title Schiff base complex, [Ni(C DOI: 10.1107/S1600536810007373/bq2198Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two benzene rings are individually planar and make a dihedral angle of 53.90°. The crystal structure is stabilized by intermolecular N—H⋯N hydrogen bonds and π–π stacking interactions (centroid–centroid distance = 3.962 Å).In the molecule of the title compound, C DOI: 10.1107/S1600536809013415/rk2138Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit comprises one complex molecule and a water molecule of crystallization. The water H atoms form bifurcated O—H⋯ intermolecular hydrogen bonds with the O atoms of the phenolate and ethoxy groups with 12(5)R and 12(6)R ring motifs, which may, in part, influence the molecular configuration. The dihedral angle between the two O—Cu—N coordination planes is 31.02 (6)° and the dihedral angle between the two benzene rings is 34.98 (7)°. In the crystal structure, molecules are linked together by intermolecular C—H⋯O interactions, forming extended chains along the a axis. The crystal structure is further stabilized by intermolecular C—H⋯π and π–π [centroid–centroid = 3.5068 (13) Å] interactions.In the title complex, [Cu(C DOI: 10.1107/S1600536809012859/kj2122Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by C—H⋯Cl interactions. There is intermolecular π–π stacking between adjacent phenanthroline ligands, with a centroid–centroid distance of 3.151 (3) Å.In the crystal structure of the title complex, [Zn DOI: 10.1107/S1600536809014482/at2764Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The O atoms of the perchlorate anions are disordered with occupancies in the ratio 0.593 (10):0.407 (10). In the crystal, molecules are stabilized by two N—H⋯O hydrogen bonds, forming zigzag chains along the a axis, which are further interconnected by N—H⋯O hydrogen bonds and π–π interactions [centroid–centroid distance = 3.50 (1) Å] into a three-dimensional network.In the cation of the title compound, [Mn(C DOI: 10.1107/S1600536809029195/tk2501Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CoII atom is located on an inversion center and is coordinated by six O atoms from two water molecules and four μ2-carboxylate groups of 4-fluorobenzoate anions, forming a distorted CoO6 octahedron, with Co—O bond lengths in the range 2.071 (2)–2.130 (2) Å. All adjacent O—Co—O angles are in the range 84.78 (6)–95.22 (6)° and opposite angles are 180.0°. Each μ-carboxylate group of the 4-fluorobenzoate anions bridges two symmetry-related CoII atoms. Hydrogen-bonding interactions of the coordinated water molecules further connect the cobalt–carboxylate units, forming layers perpendicular to the a axis. The cobalt–oxygen layers are encased in a sandwich-like fashion by layers of π-stacked 4-fluorobenzoate anions. Within these layers the benzene rings of the 4-fluorobenzoate anions are π-stacked, with centroid–centroid distances of 3.432 (4) Å.The hydrothermal reaction of CoCO DOI: 10.1107/S1600536809014913/zl2189Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing exhibits π–π interactions between the benzene rings from neighbouring molecules [centroid–centroid distance = 3.616 (4) Å] and weak C—H⋯O and C—H⋯π interactions.In the title molecule, C DOI: 10.1107/S1600536808000895/cv2379Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure exhibits four intermolecular non-classical C—H⋯O hydrogen bonds. In addition, the crystal structure contains aromatic π–π interactions between the furan and benzene rings of adjacent molecules [centroid–centroid distance = 3.743 (2) Å], and two intermolecular C—H⋯π interactions.In the title compound, C DOI: 10.1107/S1600536809025938/ez2175Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, the complex molecules are linked into a three-dimensional network by intermolecular O—H⋯O and N—H⋯O hydrogen bonds, and π–π stacking interactions with centroid–centroid separations of 3.758 (2) and 3.597 (1) Å.In the title compound, [Zn(C DOI: 10.1107/S1600536809009180/hy2185Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two N atoms and the Cl atom are in equatorial positions while the remaining two N atoms occupy apical sites, the equatorial Cu—N bonds being significantly longer than the two apical Cu—N bonds. The N=C—O—C torsion angles involving the four ethoxy groups are in the range 161.5 (8) to 177.0 (5)°. In the crystal structure, there are significant π–π stacking interactions between inversion-related rings of phenanthroline groups with centroid–centroid distances in the range 3.649 (4)–3.790 (4) Å.In the title complex, [CuCl(C DOI: 10.1107/S160053680804138X/lh2739Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Weak π–π stacking interactions, with centroid–centroid distances of 3.862 (2) and 3.887 (5) Å, and significant C—H⋯π interactions help to stabilize the crystal structure. The atoms of the unique terminal 4-pyridinepropane group are disordered over two sites, the ratio of refined occpancies being 0.712 (7):0.288 (7).In the title compound, [Mn(C DOI: 10.1107/S1600536809009891/lh2780Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There are two formula units in the asymmetric unit. Molecules are further assembled into a three-dimensional network through C—H⋯Cl contacts, a Cu⋯Cl weak interaction [3.161 (2) Å], O—H⋯O  and C—H⋯O hydrogen bonds. The three water molecules of the asymmetric unit are distributed over five positions with one full and two approximately half occupancies, while a tyrosine side chain in one of the complex molecules is disordered over two positions [occupancies 0.507 (5) and 0.493 (5)].In the title compound, [Cu(C DOI: 10.1107/S1600536808012038/cs2072Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordinated water molecule acting as the bridging ligand is located on a twofold axes and the complex molecule displays C               2 molecular symmetry. The Fe⋯Fe separation in the binuclear complex is 3.490 (3) Å. The crystal structure is stabilized by hydrogen bonding and π–π stacking interactions .In the title binuclear complex, [Fe DOI: 10.1107/S1600536808014207/kp2167Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The three pyridine rings are approximately coplanar, with a maximum deviation of 0.03 Å from the mean plane. The phenoxy substituent makes a dihedral angle of 18.1 (2)° with the central pyridine ring. The benzyl group has a C—O—C—C torsion angle of 77.62 (8)° relative to the phenoxy ring. In the crystal, molecules are linked via C—H⋯O hydrogen bonds.In the title compound, [Zn(CH DOI: 10.1107/S1600536809049502/wm2284Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


II ion in the title compound, [Zn(C15H14N10)(H2O)2](ClO4)2, lies on a centre of symmetry. The distorted N4O2 octahedral coordination environment around the Zn atom is composed of two 1,3-bis[5-(2-pyridyl)-2H-tetrazol-2-yl]propane ligands (L1) and two water molecules, coordinated in trans positions. The ligand acts as a typical bidentate chelating ligand through one of its 2-pyridyl-2H-tetrazole units, forming a five-membered Zn—N—C—C—N metallacycle with a small N—Zn—N bite angle [77.40 (8)°]. The other 2-pyridyl-2H-tetrazole unit remains uncoordinated. The average Zn—N distance (2.156 Å) is somewhat longer than the distance between the ZnII center and the aqua ligand [2.108 (2) Å]. The coordinated pyridyl-tetrazoyl rings are quasi-coplanar, making a dihedral angle of 1.9 (2)°, while the uncoordinated rings show a larger interplanar angle of 21.3 (2)°. The flexible propane spacer displays a zigzag chain. Intermolecular O—H⋯N and O—H⋯O interactions result in two-dimensional polymeric structures parallel to (100). Two C atoms of the spacer are disordered over two positions, with site occupancy factors of ca 0.85 and 0.15.The Zn DOI: 10.1107/S1600536808006703/bg2168Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are linked by O—H⋯O hydrogen bonds into chains running along [010]. Adjacent chains are joined together by weak π–π interactions between benzene rings [centroid–centroid distance = 4.040 (2) Å].There are two molecules in the asymmetric unit of the title compound, C DOI: 10.1107/S1600536810000139/fk2009Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IV atom in the title compound, [Sn(C6H5)2(C18H11ClN2O3)], is O,N,O′-chelated by the deprotonated Schiff base ligand and further bonded by two phenyl rings in a distorted cis-C2SnNO2 trigonal-bipyramidal geometry [C—Sn—C = 125.7 (2)°]. The two phenyl rings are oriented at a dihedral angle of 55.2 (3)°. Intramolecular O—H⋯N hydrogen bonding is present in the crystal structure.The Sn DOI: 10.1107/S1600536809050107/xu2687Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal structure is stabilized by C—H⋯Br hydrogen bonds and intermolecular C—Br⋯π interactions [C⋯π = 3.57 (1) Å].In the title compound, [Sb(C DOI: 10.1107/S1600536808033783/lx2073Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An intramolecular O—H⋯O hydrogen bond occurs. In the crystal, intermolecular O—H⋯O hydrogen bonds link the mononuclear complexes into chains extending parallel to [010]. Furthermore, π–π stacking interactions [centroid–centroid distance = 3.5696 (6) Å] stabilize the crystal structuure. In the mononuclear title complex, [Ni(C DOI: 10.1107/S1600536810034252/bt5331Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There is an intramolecular O—H⋯O hydrogen bond. Intermolecular C—H⋯O hydrogen bonds result in the formation of a three-dimensional network and π–π stacking interactions [3.44–3.83 Å] are observed between symmetry-related rings of 2-methylfuropyridine. Further interactions in the crystal structure are a short Cl⋯Cl interaction [3.384 (2)Å] and C—H⋯π interactions between 2-methylfuropyridine rings.In the title compound, [Cu(C DOI: 10.1107/S1600536808008404/om2220Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There are significant differences between chemically equivalent coordination bond lengths. The crystal structure is stabilized by weak intermolecular C—H⋯O hydrogen bonds and weak π–π stacking interactions [centroid–centroid distance 3.495 (1) Å]. In one of the anions one nitro group is rotationally disordered about the C—N bond with refined occupancies of 0.524 (8) and 0.476 (8).In the title complex, [Co(C DOI: 10.1107/S1600536809035934/lh2889Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular O—H⋯O hydrogen-bonding interactions lead to infinite chains, which are further self-assembled into a supramolecular network through intermolecular N—H⋯O hydrogen-bonding interactions and π–π stacking [centroid–centroid distance = 3.717 (2) Å].In the mononuclear title compound, [Ni(C DOI: 10.1107/S1600536808009471/ng2442Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The central 1,6-diazecine ring adopts the common chair conformation invariably found in the family of complexes bearing such ligands. The CuII atoms have an octahedral geometry, with a very strong tetragonal distortion due to the Jahn–Teller effect. Axial sites are occupied by a nitrate ion and a water molecule. The Cu⋯Cu separations [7.3580 (9) and 7.3341 (9) Å] are compatible with a potential catecholase activity. Neighboring molecules in the crystal structure are connected via O—H⋯O hydrogen bonds formed by water molecules and carboxylate O atoms. N—H⋯O hydrogen bonds are also present.The title compound, [Cu II complexes based on related bis(aminoimidazole) ligands, which were designed as models of the catechol oxidaze active site, see: Driessen et al. (NO3)2(H2O)4]·3H2O = 0.030                           wR(F                           2) = 0.082                           S = 1.02                           6396 reflections433 parameters22 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.50 e Å−3                        Δρmin = −0.48 e Å−3                        Δρ                                 XSCANS  used to solve structure: SHELXS97 (Sheldrick, 2008SHELXL97 (Sheldrick, 2008Mercury (Macrae et al., 2006SHELXL97.Data collection: 10.1107/S1600536808023969/hy2146sup1.cif            Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808023969/hy2146Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The C—Al—C angles range from 113.25 (7) to 116.27 (8)°, much larger than the O—Al—C angles, which range from 103.39 (7) to 103.90 (6)°. The tetrahydrofuran ring adopts an envelope conformation. The crystal packing is stabilized by C—H⋯π interactions.In the title compound, [Al(C DOI: 10.1107/S1600536808032091/ci2683Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit contains one PbII ion, two benzoate ligands and one water molecule. The Pb—O bond distances are in the range 2.494 (4)–2.735 (4) Å. The Pb⋯Pb distance is 4.0683 (4) Å, indicating an insignificant metal–metal interaction. The PbII atom has a distorted pentagonal-bipyramidal geometry chelated by two carboxylate O atoms. The Pb atoms are bridged through a coordinating water molecule and two carboxylate O atoms from another two benzoate ligands, giving an infinite three-dimensional supramolecular structure. O—H⋯O hydrogen-bonding interactions involved the coordinating water and carboxylate O atoms enhance the stability of the supramolecular arrangement.The reaction of lead(II) nitrate and benzoic acid in aqueous solution yields the title polymer, [Pb(C For rel al. 2007.       7H5O2)2(H2O)] = 0.034                           wR(F                           2) = 0.087                           S = 1.09                           2664 reflections181 parametersH-atom parameters constrainedmax = 3.35 e Å−3                        Δρmin = −1.31 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97 (Sheldrick, 2008SHELXL97 (Sheldrick, 2008SHELXTL (Sheldrick, 2008SHELXTL.Data collection: 10.1107/S1600536809028542/fj2238sup1.cif            Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809028542/fj2238Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecules are linked into chains running parallel to the b axis by intermolecular N—H⋯O hydrogen bonds and by π–π stacking interactions [centroid–centroid distance = 3.669 (2) Å] involving centrosymmetrically related imidazole rings.In the title mononuclear complex, [Cu(C DOI: 10.1107/S1600536808012440/rz2208Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A three-dimensional network is formed via intermolecular O—H⋯O and N—H⋯O hydrogen bonds and π–π stacking interactions between the imidazole and benzene rings of neighboring molecules [centroid–centroid distance = 3.856 (2) Å].In the title mononuclear complex, [Ni(C DOI: 10.1107/S1600536809005960/hy2181Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The strongest cation–cation O—H⋯O hydrogen bond in the structure, together with other strong cation–cation N—H⋯O hydrogen bonds, generates a succession of infinite chains of R               2               2(8) rings along the b axis. Additional cation–cation C—H⋯O hydrogen bonds link these chains into two-dimensional layers formed by alternating R               4               4(24) and R               4               2(12) rings. Connections between these layers are provided by the strong cation–anion N—H⋯O hydrogen bonds, as well as by one weak C—H⋯O interaction, thus forming a three-dimensional network. Some of the cation–anion N—H⋯O hydrogen bonds are bifurcated of the type D—H⋯.In the title compound, C DOI: 10.1107/S1600536809031730/fb2157Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Au atom exists within a linear geometry defined by an S,P-donor set with a deviation from linearity [S—Au—P = 176.86 (6)°] due to the close approach of the thiocarbamate O atom [Au⋯O = 3.108 (5) Å]. The molecule has a U-shaped geometry which facilitates the formation of an intramolecular Au⋯Au interaction [3.0231 (5) Å]. In the crystal, the presence of C—H⋯Onitro contacts leads to the formation of layers with substantial voids; these are occupied by the solvent molecules of crystallization, which are held in place by C—H⋯S contacts. The dinuclear title molecule, [Au For the al. 1993.       2Fe(C10H11N2O3S)2(C17H14P)2]·2CHCl3                         = 0.045                           wR(F                           2) = 0.104                           S = 0.97                           7148 reflections357 parametersH-atom parameters constrainedmax = 2.08 e Å−3                        Δρmin = −0.74 e Å−3                        Δρ                                 SMART  used to solve structure: PATTY in DIRDIF92 (Beurskens et al., 1992SHELXL97 (Sheldrick, 2008DIAMOND (Brandenburg, 2006SHELXL97.Data collection: 10.1107/S1600536809043864/hb5168sup1.cif            Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809043864/hb5168Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Pt atom has an octahedral coordination. In the crystal structure, intermolecular N—H⋯Cl and C—H⋯Cl hydrogen bonds result in the formation of a supramolecular structure. There is a π–π contact between the pyridine rings [centroid–centroid distance = 4.235 (1) Å].The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536808025257/hk2508Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angles between the carboxylate groups and the adjacent benzene rings are 11.33 (13) and 10.90 (9)° and the benzene rings are oriented at a dihedral angle of 67.88 (6)°. The uncoordinated water molecules link the carboxylate groups and coordinated water molecules via O—H⋯O hydrogen bonding. Weak C—H⋯π interactions are also found in the crystal structure.In the crystal structure of the title complex, {[Mn(C DOI: 10.1107/S1600536809021060/xu2525Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The equatorial positions are occupied by two N atoms from a 1,10-phenanthroline ligand [Cu—N = 1.994 (3) and 2.027 (3) Å] and two O atoms from dichloroacetate ligands and a water molecule [Cu—O = 1.971 (2) and 1.939 (2) Å]. One O atom from another dichloroacetate ligand occupies the apical positon [Cu—O = 2.152 (3) Å]. Intermolecular O—H⋯O hydrogen bonds link the molecules into centrosymmetric dimers. The crystal packing also exhibits weak intermolecular C—H⋯O hydrogen bonds, π–π interactions [centroid–centroid distance = 3.734 (2) Å] and short intermolecular Cl⋯Cl contacts [3.306 (2) and 3.278 (2) Å].In the title complex, [Cu(C DOI: 10.1107/S1600536808042578/cv2493Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by aromatic π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.814 (9) Å], and possibly by weak C—H⋯π interactions. In addition, the crystal structure exhibits three intermolecular C—H⋯O non-classical hydrogen bonds. The ethyl group bonded to carboxylate O atom is disordered over two positions, with refined site-occupancy factors of 0.686 (18) and 0.314 (18).The title compound, C DOI: 10.1107/S1600536809009775/rk2134Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecular packing in the crystal is stabilized by intermolecular N—H⋯O interactions, linking the molecules into infinite chains along the c axis. In addition, there are weak C—H⋯S and C—H⋯π interactions.In the title compound, C DOI: 10.1107/S1600536810009803/bt5217Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The thiazole ring forms dihedral angles of 83.7 (2) and 34.4 (2)° with the benzene ring of the benzodioxole ring and the fused phenyl ring, respectively. The molecular conformation is stabilized by an intramolecular C—H⋯π interaction. The crystal packing features intermolecular C—H⋯N, C—H⋯O hydrogen bonds and weak C—H⋯π interactions.In the title compound, [Fe(C DOI: 10.1107/S160053681003638X/rz2480Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There is a π–π contact between the pyridine rings [centroid–centroid distance = 3.775 (6) Å].In the molecule of the title compound, [HgI DOI: 10.1107/S1600536808028791/hk2525Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is assembled via hydrogen-bonding interactions of two kinds, N(pyridine/amine)—H⋯Br—Sn, along with C—Br⋯Br—Sn interactions [3.4925 (19) Å]. The cations are involved in π–π stacking, which adds an extra supramolecularity as it presents a strong case of offset-face-to-face motifs [centroid–centroid distance = 3.577 (3) Å]. The intermolecular hydrogen bonds, short Br⋯Br interactions and π–π stacking result in the formation of a three-dimensional supramolecular architecture.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536809015189/hk2669Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


L) and the title silver(I) complex, namely bis[μ-1--2-naphthol]bis{[1--2-naphthol]silver(I)} dinitrate monohydrate, [Ag2(C13H10N4O)4](NO3)2·H2O, were synthesized. Each silver center in the dimeric complex (related by an inversion centre) is coordinated by two bridging L ligands and one additional L ligand in a monodentate fashion, exhibiting a distorted trigonal-planar coordination. The discrete dimers are further linked through O—H⋯O hydrogen bonds and weak π–π stacking interactions [the shortest atom–atom separation is ca 3.46 Å between the parallel stacking pairs]. Intramolecular O—H⋯N hydrogen bonds are also present.The new ligand 1--2-naphthol ( DOI: 10.1107/S1600536809004760/wk2097Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


This compound is composed of an anionic complex, [Al(pydc)2]−, a protonated 2,2′-bipyridine molecule as a counter-ion, +, and three uncoordinated water molecules. The anion is a six-coordinate complex, with the AlIII atom in a distorted octahedral geometry coordinated by two tridentate pyridine-2,6-dicarboxylate groups. In the crystal structure, intermolecular O—H⋯O, N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds, π–π stacking between two aromatic rings [centroid–centroid distance = 3.827 (10) Å], and C=O⋯π stacking , connect the various components to form a supramolecular structure.The title compound, (C DOI: 10.1107/S1600536808015973/su2057Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IV compound, [Sn4(C7H6Cl)8Cl2O2(OH)2], has site symmetry 2− and two OH− anions bridge four SnIV cations to form the tetranuclear compound. The two independent SnIV cations assume SnO3C2 and SnO2C2Cl distorted trigonal-bipyramidal coordination geometries. Intramolecular O—H⋯Cl hydrogen bonding is present in the structure. One Cl atom of a chlorobenzyl ligand is disordered over two sites with an occupancy ratio of 0.693 (2):0.307 (2).The title tetranuclear Sn DOI: 10.1107/S1600536809045176/xu2652Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, molecules are linked into centrosymmetric dimers by pairs of O—H⋯O hydrogen bonds, and the dimers are linked together by π–π interactions [centroid–centroid distance = 3.8310 (13) Å] and C—H⋯O bonds.In the molecule of the title compound, C DOI: 10.1107/S1600536809049721/fk2006Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The bond distances for Sn—C, Sn—N and Sn—O are in the ranges 2.097 (3)–2.098 (3), 2.298 (2)–2.623 (2) and 2.157 (2)–2.266 (2) Å, respectively. The molecular structure of the monomeric compound is stabilized by three intramolecular C—H⋯O hydrogen bonds, all involving bipyridine C—H groups.In the crystal structure of the title compound, [Sn(CH DOI: 10.1107/S1600536808006090/im2056Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecular structure features intramolecular O—H⋯O and N—H⋯O hydrogen bonds. In the crystal structure, the complex molecules are assembled into a two-dimensional supramolecular layer parallel to (011) via O—H⋯O and N—H⋯O hydrogen bonds and π–π stacking interactions between the pyridyl and pyrazole rings [centroid–centroid distances = 3.544 (2) and 3.722 (3) Å].In the mononuclear title complex, [Cd(C DOI: 10.1107/S1600536810034616/hy2347Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There is a π–π stacking interaction between the symmetry-related 1,10-phenanthroline ligands with a centroid–centroid distance of 3.5578 (16) Å and a perpendicular distance of 3.445 (su?) Å between the relevant rings.In the title complex, [CdCl DOI: 10.1107/S1600536809032358/bt5029Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two AgI ions are each bonded to two N atoms from two isonicotinate ligands in a linear or bow-like fashion [N—Ag—N angles = 178.6 (2) and 147.1 (2)°]. These metal ions are connected by the isonicotinate ligands into a layer parallel to (010). O—H⋯O hydrogen bonds donated by the coordinated and uncoordinated water molecules and intralayer π–π stacking interactions between the pyridine rings [centroid–centroid distances = 3.551 (4) and 3.555 (4) Å] are observed. The layers interact with each other by interlayer Ag⋯O(aqua) contacts [2.731 (4) Å] and π–π stacking interactions between the pyridine rings [centroid–centroid distances = 3.466 (3) and 3.516 (3) Å], resulting in the formation of a three-dimensional supramolecular structure.In the title compound, {[Ag DOI: 10.1107/S1600536810035634/hy2346Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the planes of the phenanthridine ring systems is 69.92 (3)°. An intramolecular C—H⋯Cl interaction results in the formation of a planar five-membered ring, which is oriented at a dihedral angle of 8.32 (3)° with respect to the adjacent phenanthridine ring system. In the crystal structure, π–π contacts between the phenanthridine systems  may stabilize the structure. Two weak C—H⋯π interactions are also found.In the molecule of the title compound, [ZnCl DOI: 10.1107/S160053680901959X/hk2696Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complex anion is approximately planar with a maximum deviation of 0.097 (1) Å. In the 1-(4-nitrobenzyl)-4-cyanopyridinium cation, the pyridine ring is twisted at a dihedral angle of 73.84 (16)° with respect to the benzene ring. π-π stacking is observed between nearly parallel [dihedral angle = 4.71 (7)°] dithiole and benzene rings, the centroid–centroid distance being 3.791 (2) Å.In the title salt, (C DOI: 10.1107/S1600536810037426/xu5018Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


O—H⋯O and O—H⋯Cl hydrogen bonds involving hydroxy groups and one of coordinated Cl atoms link complexes in the crystal packing. There is a π–π stacking interaction between adjacent 1,10-phenanthroline rings, with a distance of 3.675 (2) Å between the centroids of the pyridine and benzene rings.In the title complex, [CdCl DOI: 10.1107/S1600536809037465/kp2226Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The RuII ion is chelated by a 10,11,12,13-tetrahydrodipyridophenazine ligand and two 2,9-dimethyl-1,10-phenanthroline ligands in a distorted octahedral geometry. The two uncoordinated water molecules are disordered over five positions, with an occupancy factor of about 0.4 for each site. A supramolecular structure is formed by weak π–π interactions between neighbouring molecules, with centroid–centroid distances of 3.618 (2) and 3.749 (2) Å.The title compound, [Ru(C DOI: 10.1107/S1600536810002874/hy2273Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The combination of coordinative bonds, O—H⋯N and O—H⋯O hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.630 (2) Å] results in the stabilization of a supramolecular structure. All uncoordinated water molecules are disordered. Thermogravimetric analysis reveals that the title complex loses the four crystal water molecules at about 333 K, then the anhydrous phase loses no further mass up to about 573 K, above which decomposition occurs.The hydrothermal reaction of CoCl DOI: 10.1107/S1600536809030165/at2833Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complex cations are linked by hydrogen bonds between the carboxyl groups into a chain. The chains are further connected through C—H⋯O hydrogen bonds and a weak Ag⋯O interaction [2.757 (8) Å] into a layer. Another Ag⋯O interaction [2.899 (2) Å] and a C—H⋯O hydrogen bond connect the layers into a three-dimensional network.In the title compound, [Ag(C DOI: 10.1107/S1600536808044206/hy2176Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CoII center is coordinated by six H2O molecules in a distorted octahedral coordination environment. In the crystal structure, intra- and intermolecular O—H⋯O and O—H⋯N hydrogen bonds link the cations and anions into a three-dimensional network. π–π contacts between the tetrazole rings [centroid–centroid distance = 3.346 (1) Å] may further stabilize the structure.The asymmetric unit of the title complex, [Co(H DOI: 10.1107/S1600536809028463/hk2740Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bridging carbonyl C—C(=O)—C plane makes dihedral angles of 45.55 (6) and 28.62 (7)°, respectively, with the naphthalene ring system and the benzene ring. Weak intermolecular C—H⋯O hydrogen bonds and C—H⋯π interactions stabilize the crystal packing.In the title compound, C DOI: 10.1107/S1600536810006859/bt5198Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The centrosymmetric complex cation involves intramolecular π–π stacking interactions [centroid–centroid distance = 3.862 (4) Å] between the central pyridine and benzene rings. In the crystal structure, intermolecular C—H⋯O hydrogen bonds result in the formation of a supramolecular network.In the binuclear title complex, [Ag DOI: 10.1107/S1600536809046832/hy2238Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Ni—N bond distances range from 2.1061 (18) to 2.1425 (18) Å. The Mo—C and C—N distances in the [Mo(CN)8] unit range from 2.154 (2) to 2.174 (2) Å and 1.149 (3) to 1.156 (3) Å, respectively. The complex ions and water molecules are linked by weak N—H⋯N/O and O—H⋯N/O hydrogen bonds into a three-demensional structure.In the title compound, [Ni(C DOI: 10.1107/S1600536809051964/pv2243Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials: