The HgII atoms show a typical linear geometry to a C atom of the benzene ring and to a Cl atom. A benzene C and the azomethine N atom chelate the HgII atoms with weak intramolecular Hg⋯N bonding distances of 2.735 (3) and 2.739 (3) Å, respectively. The resulting five-membered metallacycles are nearly coplanar with the benzene rings [dihedral angles = 0.9 (1) and 0.7 (1)°], while the pyridine rings make dihedral angles with the benzene units of 58.17 (1) and 56.58 (1)°. In the crystal structure, the HgII complexes are linked by hydroxy donor and pyridine acceptor groups into chains along [010]. The water molecules connect the complexes through intermolecular O—H⋯Ocarbonyl bonds in the a-axis direction, and the azomethine H atoms donate towards the water O atoms, forming a three-dimensional network of intermolecular O—H⋯N, O—H⋯O and N—H⋯O hydrogen bonds.The asymmetric unit of the title compound, [Hg(C Cl]·H2O = 0.021                           wR(F                           2) = 0.046                           S = 1.05                           5658 reflections381 parametersH-atom parameters constrainedmax = 0.52 e Å−3                        Δρmin = −0.83 e Å−3                        Δρ                                 SMART  used to solve structure: SHELXS97 (Sheldrick, 2008SHELXL97 (Sheldrick, 2008SHELXTL (Sheldrick, 2008SHELXTL and PLATON (Spek, 2009Data collection: 10.1107/S1600536809023824/si2184sup1.cif            Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809023824/si2184Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Mn3+ ions are bridged by anionic pyridine-2-carboxylate (pic) ligands, thereby forming a chain-like structure along the c axis, and are six-coordinated in a distorted octahedral environment by two O atoms of the two different carboxylate groups, two O atoms of two water molecules and two Br atoms. The complex displays intermolecular O—H⋯Br, O—H⋯N, O—H⋯O, C—H⋯O and C—H⋯Br hydrogen bonding. There may also be intermolecular π–π interactions between adjacent pyridine rings, with a centroid–centroid distance of 3.993 (8) Å.The asymmetric unit of the title compound, [MnBr DOI: 10.1107/S160053680902844X/im2127Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecular conformation is stabilized by weak intramolecular C—H⋯O and C—H⋯N hydrogen bonds. The crystal structure features weak C—H⋯π interactions.In the title molecule, C DOI: 10.1107/S1600536809037830/is2462Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, a combination of close contacts formed via Ag⋯N interactions [Ag⋯N = 3.098 (2) and 3.261 (2) Å] from symmetry-related molecules and intermolecular N—H⋯O hydrogen bonds between CF3CO2               − anions and the hydrazone groups of two ligands give rise to chains. Furthermore, there are Ag⋯O interactions with a separation of 2.765 (2) Å between chains. The F atoms of the CF3CO2               − anion are disordered over two sites with refined occupancies of 0.593 (5) and 0.407 (5).In the title compound, [Ag(C DOI: 10.1107/S1600536809029183/lh2867Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ansa-molybdocene [C2Me4(η5-C5H4)2]Mo unit has a typical bent-sandwich metallocene structure with an inter-ring angle of 127.98 (8)°. The Mo atom in the bridging (μ2-O)(μ3-O)2MoO2 group has a distorted trigonal–bipyramidal coordination. The Mo—(μ3-O) and Mo—(μ2-O) bond distances inside the units  are slightly longer than the Mo—(μ3-O) bond distance between the units [1.9986 (14) Å]. The solvent water molecules together with complex O atoms form a network of O—H⋯O hydrogen bonds.The title compound, [Mo DOI: 10.1107/S1600536808031668/hb2806Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


It is composed of a planar r.m.s. deviation (0.0012 Å) tetrazole ring which is nearly coplanar with the benzene ring, the dihedral angle being 2.67 (9)°. In the crystal, symmetry-related molecules are linked by intermolecular N—H⋯N hydrogen bonds. The molecules stack along [100] with a π⋯π interaction involving the phenyl and tetrazole rings of adjacent molecules [centroid–centroid distance = 3.5639 (15) Å]. The H atom of the N—H group is disordered over two sites of equal occupancy. The methyl H atoms were modelled as disordered over two sets of sites of equal occupancy rotated by 60° with respect to each other.The title compound, C DOI: 10.1107/S1600536809036411/su2134Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II complex, [Ni(C7H4ClO2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Ni atom located on an inversion centre. The molecule contains two 2-chlorobenzoate (CB) and two nicotinamide (NA) ligands and two water molecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 29.48 (16)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.16 (5)°. In the crystal structure, O—H⋯O and N—H⋯O hydrogen bonds link the molecules into infinite chains. π–π Contacts between the benzene and pyridine rings [centroid–centroid distance = 3.952 (1) Å] may further stabilize the crystal structure. There is also a C—H⋯π interaction.The title Ni DOI: 10.1107/S1600536809011209/xu2501Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure stabilized by three different intermolecular non-classical C—H⋯O hydrogen bonds. The crystal structure also exhibits aromatic π–π interactions between the benzene rings of adjacent benzofuran ring systems [centroid–centroid distance = 3.688 (2) Å]In the title compound, C DOI: 10.1107/S1600536809037003/bq2158Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angles between the benzimidazole ring system and the phenyl rings in each of the benzylbenzimidazole units are 78.56 (12), 81.68 (11), 75.76 (10) and 85.78 (9)°. In the crystal structure, there are weak but significant intermolecular π–π stacking interactions with centroid–centroid distances of 3.685 (1) and 3.978 (1) Å.In the title compound, [Zn(C DOI: 10.1107/S1600536809022296/lh2840Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The thiadiazole rings are oriented at a dihedral angle of 84.87 (4)°. Intramolecular N—H⋯Cl interactions result in the formation of two six-membered rings having envelope and planar conformations. In the crystal structure, intermolecular N—H⋯N and N—H⋯Cl interactions link the molecules into a three-dimensional network. π–π contacts between thiadiazole rings [centroid–centroid distance = 3.602 (1) Å] may further stabilize the structure.In the title compound, [ZnCl DOI: 10.1107/S1600536809032073/hk2748Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


It is an example of a new type of tropolone derivative that has not been characterized via solid-state methods. Weak intramolecular C—H⋯N and intermolecular C—H⋯O hydrogen bonds, and π–π stacking interactions between the tropolone rings [centroid–centroid distance = 3.590 (8) Å] are observed in the crystal structure.In the title compound, [Rh(C DOI: 10.1107/S160053680803780X/hy2163Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the ferrocene unit, the substituted (Cps) and unsubstituted (Cp) cyclopentadienyl rings are eclipsed and almost parallel [Cps—Fe—Cps angle = 176.1 (2)°]. The molecule is linked into an S(5) motif via intramolecular C—H⋯O hydrogen bonds. The molecules are arranged into a three-dimensional framework by five intermolecular C—H⋯O hydrogen bonds and one intermolecular C—H⋯π(Cps) interaction.In the title compound, [Fe(C DOI: 10.1107/S1600536808025518/pv2096Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each PZDC2− dianion serves as a spacer, connecting adjacent metal atoms into a polymeric chain structure parallel to the b axis. The chain motif is consolidated into a three-dimensional supramolecular network by O—H⋯O and O—H⋯N hydrogen bonds and π–π aromatic stacking interactions involving adjacent DPPZ ligands and PZDC2− dianions with centroid–centroid separations of 3.522 (6) and 3.732 (8) Å, respectively.In the title compound, [Zn(C DOI: 10.1107/S1600536808022824/rz2235Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the complex, the two MnIII ions are bridged by two O atoms from two symmetry-related N,N′-bis-1,2-diiminobenzene dianionic ligands with the longer Mn—O distance of 2.703 (3) Å, thus each Mn ion is six-coordinated by two N and three O atoms from the two dianionic ligands and one capping Cl atom in a distorted octahedral environment. The crystal structure displays intermolecular π–π interactions between adjacent benzene rings, with a shortest centroid–centroid distance of 3.673 (2) Å, and intermolecular C—H⋯O, C—H⋯ Cl and C—H⋯ Br hydrogen bonds.The asymmetric unit of the title compound, [Mn DOI: 10.1107/S1600536810003247/xu2722Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each CuII atom is coordinated by two O atoms and one N atom from the tridentate ligand L               2− [LH2 = (E)-2--2-(4-hydroxyphenyl)acetic acid] and the O atom of a dimethylformamide molecule to give a slightly distorted square-planar geometry. The two unique molecules form a dimer through weak C—H⋯O hydrogen bonds. In the dimer, the Cu⋯Cu distance is 3.712 (1) Å. In the crystal structure, molecules form a one-dimensional chain through C—H⋯O hydrogen bonds. These are further aggregated into a three-dimensional network by O—H⋯O and C—H⋯O hydrogen bonds.In the title complex, [Cu(C DOI: 10.1107/S1600536808007915/sj2468Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There are two intramolecular N—H⋯Br hydrogen bonds completing twisted six-membered rings with R(6) motifs. The dihedral angles between the aromatic rings in the ligands are 62.11 (13) and 85.73 (13)°. In the crystal, components are linked by N—H⋯O, O—H⋯S and O—H⋯π interactions. There also exist π–π interactions with a distance of 3.876 (2) Å between the centroids of benzene rings of two different ligands. Together, the intermolecular interactions lead to a three-dimensional network.In the title compound, [CuBr(C DOI: 10.1107/S1600536809026038/hb5021Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


All hydroxyl groups act as donors and acceptors in hydrogen bonding and the molecule is involved in ten intermolecular O—H⋯O interactions [O⋯O = 2.672 (5)–2.776 (4) Å] with eight neighbouring molecules. Two independent O—H⋯O—H⋯ helices extending along the z axis are found in this structure.The molecule of the title compound, C DOI: 10.1107/S1600536809000397/gk2181Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


It contains a half-sandwich complex of ruthenium with a three-legged piano-stool geometry, with Ru—P = 2.3585 (4) and 2.3312 (4) Å, and Ru—N = 2.0422 (15) Å as the legs. The CF3SO3               − anion is anchored in the crystal lattice by C—H⋯O and C—H⋯F hydrogen bonds, with C⋯F,O distances starting at 3.125 (2) Å.The title compound, [Ru(C DOI: 10.1107/S1600536809038720/ez2188Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The slightly distorted octahedral environment of the Ru center is formed by four P atoms [Ru—P = 2.4417 (6) and 2.4544 (6) Å] from two different -TangPhos ligands  and two Cl atoms [Ru—Cl = 2.4267 (5) Å].In the title compound, [RuCl DOI: 10.1107/S1600536808008301/cv2390Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


At the core of the structure is an Li2O2 four-membered ring. The structure is centrosymmetric with an inversion centre midway between two Li atoms. Intermolecular C—H⋯π interactions and π–π interactions between the 2-methylpyridine rings exist [centroid–centroid distance = 3.6312 (16) Å].The title compound, [Li DOI: 10.1107/S1600536808042748/gw2055Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II complex, [Ni(C7H4BrO2)2(C6H6N2O)2(H2O)2], is centrosymmetric. It contains two 2-bromobenzoate (BB) ligands, two nicotinamide (NA) ligands and two water molecules, all of them being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 30.81 (17)°, while the pyridine and benzene rings are oriented at a dihedral angle of 84.66 (6)°. In the crystal structure, O—H⋯O and N—H⋯O hydrogen bonds link the molecules into a supramolecular structure. A weak C—H⋯π interaction is also found.The title Ni DOI: 10.1107/S1600536809021710/xu2538Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII ion is coordinated by two N atoms [Cu—N = 1.960 (4) Å] and two O atoms [Cu—O = 1.908 (4) Å] from the tetradentate Schiff base ligand and by one O atom [Cu—O = 2.324 (6) Å] of the methanol molecule in a square-pyramidal geometry. In the crystal structure, intermolecular O—H⋯O hydrogen bonds link complex molecules into extended chains along [001].In the title compound, [Cu(C DOI: 10.1107/S1600536809011179/lh2794Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II compound, [Ni(C8H5O3)2(C10H14N2O)2(H2O)2], the central NiII atom is coordinated by two O atoms from two 4-formylbenzoate (FOB) ligands, two O atoms from two water molecules and two N atoms from two diethylnicotinamide (DENA) ligands. The coordination geometry is slightly distorted octahedral, with four O atoms in the equatorial plane and two N atoms in axial positions. Intramolecular O—H⋯O hydrogen bonds are observed. In the crystal structure, molecules are linked into chains along the a axis by intermolecular O—H⋯O hydrogen bonds. The structure is further stabilized by π–π interactions between the pyridine rings of DENA units, with a centroid–centroid distance of 3.668 (2) Å.In the title centrosymmetric mononuclear Ni DOI: 10.1107/S1600536809006345/ci2769Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An uncoordinated dmphen and an uncoordinated water molecule cocrystallized with each complex molecule. Intra- and intermolecular O—H⋯N and O—H⋯O hydrogen bonds are also present between the coordinated 3-HBA and water molecules and the uncoordinated dmphen and water molecules in the crystal. The packing of the structure is further stabilized by π–π stacking interactions involving dmphen molecules, with a centroid–centroid separation of 3.705 (3) Å.In the title compound, [Mn(C DOI: 10.1107/S1600536809025926/pv2157Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two TbIII ions are linked by four bridging benzoate ions, with a Tb⋯Tb distance of 3.9280 (6) Å. Additionally, each TbIII ion is coordinated by one phenanthroline heterocycle and a bidentate benzoate ion. The irregular nine-coordinated geometry of the TbIII 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 along the a axis by intermolecular C—H⋯O hydrogen bonds. 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 = 3.6275 (14)–3.6604 (14) Å].The asymmetric unit of the title complex, [Tb For rel al. 1999, 2002 ▶;2(C7H5O2)6(C12H8N2)2]·2C7H6O2                         = 0.018                           wR(F                           2) = 0.101                           S = 1.20                           11944 reflections460 parametersH-atom parameters constrainedmax = 1.41 e Å−3                        Δρmin = −2.25 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/S1600536810016788/rz2444sup1.cif            Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810016788/rz2444Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II ion in the title complex, [HgCl2(C13H12N2)], adopts a distorted tetrahedral geometry being coordinated by two Cl anions and by two N atoms of the benzyl(2-pyridylmethylene)amine ligand. The Cl—Hg—Cl plane is twisted at 70.1 (1)° from the mean plane of the chelate ring. In the crystal structure, intermolecular π–π interactions [centroid–centroid distance = 3.793 (3) Å] between the aromatic rings link the molecules into zigzag chains extending along [010].The Hg DOI: 10.1107/S1600536810035889/cv2760Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


One of PMB ions acts as a bidentate ligand while the other and the two INA are monodentate ligands. An O—H⋯O hydrogen bond links the uncoordinated water molecule to the carboxyl groups of the complex. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 10.28 (11) and 21.24 (9)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 6.90 (4) and 88.64 (4)°, respectively. In the crystal structure, O—H⋯O and N—H⋯O hydrogen bonds link the molecules into a supramolecular structure. A π–π contact between the benzene rings [centroid–centroid distance = 3.911 (1) Å] may further stabilize the crystal structure. Weak C—H⋯π interactions involving the pyridine rings also occur in the crystal structure.In the crystal structure of the title compound, [Cd(C N,N-diethylnicotinamide, see: Bigoli et al. 2(C6H6N2O)2(H2O)]·H2O = 0.020                           wR(F                           2) = 0.053                           S = 1.14                           7154 reflections404 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.56 e Å−3                        Δρmin = −0.38 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/S1600536810008366/xu2732sup1.cif            Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810008366/xu2732Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The xanthene ring system is essentially planar, with an average deviation of 0.020 Å, and the substituent benzene ring forms a dihedral angle of 85.89 (2)° with it. The Sn—Cl distances are in the range 2.4237 (3)–2.4454 (3) Å. There are N—H⋯Cl hydrogen bonds between SnCl6               2− ions and rhodamine 6G cations as well as π–π stacking interactions between rhodamine 6G cations (interplanar distance of 3.827 Å).In the title compound, bis({6-ethylamino-10-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthen-3-ylidene}ethanaminium) hexachloridotin(IV) acetonitrile disolvate, (C DOI: 10.1107/S1600536807066287/pv2056Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Sn atom is coordinated by one N [Sn—N = 2.187 (3) Å], two O [Sn—O = 2.123 (3) and 2.174 (3) Å] and two C [Sn—C = 2.096 (4) and 2.101 (4) Å] atoms in a distorted trigonal-bipyramidal geometry. The crystal packing exhibits weak intermolecular C—H⋯O hydrogen bonds, which link the molecules into centrosymmetric dimers with an Sn⋯Sn separation of 4.330 (6) Å, and π–π interactions [centroid–centroid distance of 3.690 (5) Å between the benzene rings of neighbouring molecules].In the title molecule, [Sn(CH DOI: 10.1107/S1600536808040786/cv2482Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular π–π stacking between parallel pyridine rings [face-to-face distance 3.32 (4) Å] and C—H⋯Br and C—H⋯O hydrogen-bonding interactions are present in the crystal structure.In the molecule of the title compound, [ZnBr DOI: 10.1107/S1600536810017551/xu2761Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each AgI ion is coordinated by two N atoms from two different isonicotinate ligands. The crystal structure exhibits a two-dimensional heterometallic polymeric layer. O—H⋯O hydrogen bonds involving the coordinated and uncoordinated water molecules and intralayer π–π interactions between the pyridine rings [centroid–centroid distances = 3.571 (2) and 3.569 (2) Å] are observed. Each layer interacts with two neighboring ones via Ag⋯O(H2O) contacts and interlayer π–π interactions [centroid–centroid distances = 3.479 (3) to 3.530 (3) Å], leading to a three-dimensional supramolecular network.In the title complex, {[Ag DOI: 10.1107/S1600536809042342/hy2237Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II complex, [Ni(C8H7O2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Ni atom located on an inversion center. The molecule contains two 4-methylbenzoate (PMB) and two nicotinamide (NA) ligands and two coordinated water molecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 26.15 (10)°, while the pyridine and benzene rings are oriented at a dihedral angle of 87.81 (4)°. In the crystal structure, intermolecular O—H⋯O and N—H⋯O hydrogen bonds link the molecules into a three-dimensional network. The π–π contact between the benzene rings [centroid–centroid distance = 3.896 (1) Å] may further stabilize the crystal structure. A weak C—H⋯π interaction involving the pyridine ring also occurs.The title Ni N,N-diethylnicotinamide, see: Bigoli et al. 2(C6H6N2O)2(H2O)2] = 0.030                           wR(F                           2) = 0.068                           S = 1.05                           3390 reflections204 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.48 e Å−3                        Δρmin = −0.50 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/S1600536810007385/xu2730sup1.cif            Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810007385/xu2730Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


One of the Br atoms is disordered over two sites [site-occupancy factors = 0.51 (6) and 0.49 (6)]. The N—C—N angles in the cations are 110.7 (6) and 111.4 (7)°. In the crystal packing, a supramolecular chain is formed via both weak intermolecular C—H⋯Br hydrogen bonds and π–π aromatic ring stacking interactions [centroid–centroid separation = 3.803 (1) Å].In the title compound, (C DOI: 10.1107/S1600536809047461/zs2017Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The compound consists of an anionic complex, a doubly protonated propane-1,3-diamine as a counter-ion and 3.5 uncoordinated water molecules. The coordination polyhedron around the ZnII atom is distorted octahedral, defined by four O atoms and two N atoms from two Hchel  ligands. In the crystal structure, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds along with π–π stacking interactions [centroid–centroid distance = 3.473 (2) Å] are observed to reinforce the crystal cohesion.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536809041634/hy2228Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two intramolecular O—H⋯O hydrogen bonds stabilize the conformation of the anion. The polymeric three-dimensional supramolecular architecture is formed via coordination interactions and π–π stacking interactions involving centrosymmetrically related pyrone rings, with a centroid–centroid separation of 3.513 (2) Å.In the polymeric title compound, [K(C DOI: 10.1107/S1600536808041779/rz2268Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


This unit coordinates to a CaII cation in an O,O′,O′′-tridentate fashion, generating a distorted CaCo3O4 cubane-type cluster. The Ca—μ3-O distances [2.429 (5)–2.572 (6) Å] are much longer than the Co—μ3—O bonds [1.895 (5)–1.941 (5) Å]. The CaII cation is also coordinated by five water molecules with Ca—O distances in the range 2.355 (6)–2.543 (6) Å. There are three additional uncoordinated water molecules in the asymmetric unit, the occupancy of which refined to 0.54 (3). In H2O (or D2O), the title complex hydrolyses to Ca2+               aq cations and [Co3(ida)3(μ2-OH)3(μ3-O)]2− anions. In the title compound, [CaCo DOI: 10.1107/S1600536810010998/sj2753Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ZnII ion is located on a crystallographic twofold rotation axis and assumes a distorted tetrahedral ZnN2O2 coordination geometry. Molecules are linked by an intermolecular O—H⋯O hydrogen bond and π–π stacking interactions between pyridine rings [centroid–centroid speparation 3.594 (1) Å].The title complex, [Zn(C DOI: 10.1107/S1600536809027147/bx2223Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In ligand L, the imidazole and triazole rings form a dihedral angle of 74.25 (8)°. Molecules are assembled into a three-dimensional structure via intermolecular O—H⋯O, O—H⋯N and N—H⋯N hydrogen-bonds, and π–π interactions with a short distance of 3.665 (2) Å between the centroids of the imidazole and triazole rings of neighbouring molecules.In the title compound, [Mn(C DOI: 10.1107/S1600536810012626/cv2709Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The tridentate function of each ligand is completed by two N atoms coordinated to the two CuII atoms [Cu—N = 1.933 (2) Å]. The separation distance of two CuII atoms in a cluster is 2.988 (1) Å. The dihedral angle between the six-membered chelate rings is 2.13 (9)°. The perchlorate counter-anion is disordered over two sites in a 0.58 (10):0.42 (10) ratio.The title complex, [Cu DOI: 10.1107/S1600536810008512/kp2237Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The –OH substituent only results in weak C—H⋯O weak interactions between one of cyclopentadienyl (Cp) ring H atoms and the O atom of a neighbouring molecule with a distance of 3.308 (3) Å between the donor and acceptor atoms. The interplanar angle between the Cp and benzene rings is 13.0 (4)°. There are also weak O—H⋯π and C—H⋯π interactions involving the unsubstituted Cp and the benzene ring, respectively.The title compound, [Fe(C DOI: 10.1107/S1600536808039524/dn2401Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angles between meso-substituted chlorophenyl rings and the basic tetrapyrrolic ring are 82.66 (9), 82.16 (7), 83.97 (11) and 76.87 (8)°. In one of the phosphine ligands, the two terminal methyl groups are disordered over two positions with refined site-occupancy ratios of 0.70 (7):0.30 (7) and 0.66 (2):0.34 (2). In the crystal structure, molecules are linked together along the a axis by intermolecular C—H⋯Cl interactions. The crystal structure is further stabilized by intramolecular C—H⋯O and C—H⋯N interactions and intermolecular C—H⋯O and C—H⋯π interactions.In the molecule of the title compound, [Co(C DOI: 10.1107/S1600536809019163/at2788Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, there is a π–π stacking interaction involving a pyrazole ring and a symmetry-related pyridine ring with a centroid–centroid distance of 3.578 (3) Å.In the title complex, [Cd(NCS) DOI: 10.1107/S1600536809039920/lh2919Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A twofold rotation axis passes through the Mg atom. In the crystal structure, the cations and anions are linked by intermolecular O—H⋯O hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.804 (2) Å] into layers parallel to the ac plane.In the mononuclear title complex, [Mg(C DOI: 10.1107/S1600536808022150/im2068Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The torsion angles for the Te—Re—Te—Re sequence of atoms are 19.29 (18) and 16.54 (16)° in the two molecules. Thus, the Re—Te four-membered rings in the two molecules deviate significantly from planarity. Two intramolecular C—H⋯O interactions occur in one of the molecules. Te—Te [4.0551 (10) Å] interactions between the two molecules and weak intermolecular C—H⋯O interactions stabilize the crystal packing.The title compound, [Re DOI: 10.1107/S1600536810014297/sj2772Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the two phenyl rings is 48.14 (6)°. In the crystal structure, intermolecular N—H⋯O hydrogen bonds link molecules into centrosymmetric dimers. These dimers are, in turn, linked into a two-dimensional network via weak N—H⋯π(arene) interactions and π–π stacking interactions with centroid–centroid distances of 3.6937 (11) Å.The crystal structure determination of the title compound, C DOI: 10.1107/S1600536809046133/sj2668Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


N2OS and N2O2, each exhibiting a distorted square-planar geometry. π–π interactions between the aromatic rings of neighbouring complexes [centroid–centroid distance = 3.856 (5) Å] link pairs of molecules into centrosymmetric dimers, which are further packed into stacks along the b axis with relatively short Cu⋯Cu separations of 3.482 (1) Å. Weak intermolecular C—H⋯N hydrogen bonds help to consolidate the crystal packing.In the title dinuclear complex, [Cu DOI: 10.1107/S1600536809040951/cv2616Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each independent [FeIII(mnt)2]− unit forms a centrosymmetric dimer supported by two intermonomer FeIII—S bonds [Fe—S = 2.4715 (9) and 2.4452 (9) Å]. In the crystal structure, the dimers form one-dimensional π–π stacks along the a axis, with an interplanar separation of 3.38 (6) Å.The title compound, [Fe(C DOI: 10.1107/S1600536808036805/lh2727Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by weak intermolecular C—H⋯O hydrogen bonds and weak π–π stacking interactions [centroid–centroid distance 3.501 (3) Å]. As well as the cation, two anions and two dimethylformamide solvent molecules, the asymmetric unit also contains an ethanol solvent molecule with 0.25 occupancy.In the title compound, [Ni(C DOI: 10.1107/S1600536809021163/lh2826Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII atom is coordinated by two pydc dianions acting as tridentate ligands, and forming five-membered chelate rings with copper(II) as the central atom. The CuII atom is surrounded by four O atoms in the equatorial plane and two pyridine N atoms in axial positions, resulting in a distorted octahedral coordination geometry. In the crystal, there are two types of O—H⋯O and N—H⋯O hydrogen-bonding synthons linking the anionic and cationic fragments and the water molecules, namely R               4               4(16), and R               4               2(8). There are also weak C—H⋯O hydrogen bonds, π–π stacking interactions [the shortest centroid–centroid distance is 3.350 (2) Å], and a C—O⋯π interaction [O⋯centroid distance = 3.564 (2) Å], which connect the various components into a three-dimensional network.The asymmetric unit of the title compound, (C DOI: 10.1107/S160053681003059X/vm2038Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CoII atoms are bridged by the PZDC dianions, forming an infinite one-dimensional chain running along the b axis. Adjacent chains pack together through π–π stacking interactions [centroid–centroid separations = 3.498 (4) and 3.528 (4) Å], and O—H⋯O and O—H⋯N hydrogen bonds involving the water molecule complete the structure.In the title compound, [Co(C DOI: 10.1107/S1600536808027177/hb2775Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The most important bond distances include Pd—P of 2.380 (2) Å and Pd—Br of 2.515 (2) Å. Weak intermolecular π–π interactions between the benzene rings of adjacent molecules [centroid–centroid distance = 3.949 (6) Å] are present via crystallographic inversion centres, resulting in a one-dimensional supramolecular architecture.The title compound, [PdBr DOI: 10.1107/S1600536808030845/si2114Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Bi—S and S—P bond lengths are in the ranges 2.7694 (18)–2.8391 (17) and 2.019 (2)–2.035 (2) Å, respectively. The crystal structure is consolidated by C—H⋯S hydrogen bonds. Intramolecular C—H⋯π interactions also play a role in stabilizing the molecules.The title compound, [Bi(C DOI: 10.1107/S1600536810015618/wm2334Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II complex, [Cu2Cl4(C24H21N5O4)2], was synthesized by the reaction of CuCl2·2H2O with the tripodal ligand 2,2′-diphthalimide (L). Each of the CuII ions is coordinated by two N atoms from the ligand, two bridging Cl atoms and one terminal Cl atom. The CuII coordination can be best be described as a transition state between four- and five-coordination, since one of the bridging Cl atoms has a much longer Cu—Cl bond distance [2.7069 (13) Å] than the other [2.2630 (12) Å]. In addition, the Cu⋯Cu distance is 3.622 (1) Å. The three-dimensional structrure is generated by N—H⋯O, C—H⋯O and C—H⋯Cl hydrogen bonds and π–π interactions [centroid–centroid distances = 3.658 (4) and 4.020 (4) Å].The centrosymmetric dinuclear Cu DOI: 10.1107/S1600536809045565/kp2236Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Cu2+ and the Cl− ion are imposed by a twofold rotation axiss which also bisects the equally disordered benzoate anion. In the crystal, the molecules are assembled into chains along [010] by C—H⋯Cl, O—H⋯Cl and C—H⋯O hydrogen-bonding interactions. The resulting chains are further connected into two-dimensional supramolecular layers parallel to [100] by interchain π⋯π stacking interactions [centroid–centroid distance = 3.823 (5) Å] between the phenanthroline ligands and the benzoic acid molecules, and by C—H⋯O hydrogen-bonding interactions. Strong π⋯π stacking interactions between adjacent phenantroline ligands [3.548 (4) Å] assemble the layers into a three-dimensional supramolecular architecture.In the title complex, [Cu(C DOI: 10.1107/S1600536810011487/zq2032Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The phenyl ring is nearly perpendicular to the plane of the tricyclic naphthofuran system [81.77 (6)°] and is tilted slightly towards it. The 4-bromophenyl ring is rotated out of the naphthofuran plane by a dihedral angle of 31.12 (4)°. In the crystal structure, non-classical intermolecular C—H⋯O and C—H⋯Br hydrogen bonds are observed. The crystal structure also exhibits aromatic π–π interactions between the furan ring and the central benzene ring of the adjacent naphthofuran system [centroid–centroid distance = 3.768 (3) Å]. In addition, intermolecular C—Br⋯π interactions [3.866 (2) Å] between the Br atom and the phenyl ring of the phenylsulfinyl substituent are present.In the title compound, C DOI: 10.1107/S1600536809029250/im2130Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each Ag atom is connected by one bridging 4,4′-bipyridine [Ag—N = 2.177 (4)Å] and a terminal dicyanamide [Ag—N = 2.108 (4) Å]. The Ag—Ag interactions play a key role in constructing a unique neutral polymeric chain.In the title compound, [Ag DOI: 10.1107/S1600536809050491/pv2240Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal structure, intermolecular N—H⋯Cl hydrogen bonds link the molecules into centrosymmetric dimers. There is a π–π contact between the pyridine rings [centroid–centroid distance = 3.896 (5) Å].In the molecule of the title compound, [HgCl DOI: 10.1107/S1600536808040294/hk2588Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by weak intermolecular C—H⋯π interactions between a methyl H atom of the methylsulfinyl group and the benzene ring of the benzofuran system, and by an I⋯O halogen bond of 3.173 (3) Å and a nearly linear C—I⋯O angle of 171.7 (1)°. In addition, the crystal structure exhibits weak intermolecular C—H⋯O hydrogen bonds. The O atom of the carbonyl group and the butyl chain are both disordered over two positions with site-occupancy factors from refinement of 0.55 (4) and 0.45 (4) (for the O atom), and 0.76 (2) and 0.24 (2) (for the butyl group).In the title compound, C DOI: 10.1107/S1600536809000208/hg2458Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, intermolecular O—H⋯O hydrogen bonds link two CuL molecules and four solvent molecules into a centrosymmetric cluster. The crystal packing exhibits short intermolecular C⋯C contacts of 3.185 (4) and 3.232 (4) Å.In the title compound, [Cu(C DOI: 10.1107/S1600536809053720/cv2670Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure exhibits intermolecular O—H⋯O hydrogen bonds, short Cl⋯Cl contacts [3.334 (1) Å] and π–π interactions [centroid–centroid distance 3.621 (11) Å].In the title complex, [Cu(C DOI: 10.1107/S1600536808000044/cv2370Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The values of the bond angles at the Zn atom are in the range 99.4 (1) to 113.2 (1)°. The presence of O—H⋯O and O—H⋯Br intramolecular hydrogen bonds can explain the difference between the two Zn—O [1.961 (3)/2.015 (3) Å] and the two Zn—Br [2.350 (1)/2.378 (1) Å] bond lengths. The crystal structure is governed by C—H⋯O, C—H⋯Br and Zn—Br⋯Cg(π-ring) interactions.In the title compound, [ZnBr DOI: 10.1107/S1600536808016838/dn2351Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The oxycarbene group is nearly planar, with the phenyl ring twisted by an angle of 39.1 (2)° with respect to this plane. One of the cyclopentadienyl rings undergoes an offset face-to-face π–π interaction [3.544 (6) Å] with the symmetry-related cyclopentadienyl ring of a neighbouring molecule.The title compound, [TiW(C DOI: 10.1107/S1600536808036465/at2672Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two cyclopentadienyl (Cp) rings are parallel to each other in both molecules, forming dihedral angles of 2.3 (3) and 1.0 (3)°, respectively, and adopt an eclipsed conformation. The mean plane of the semicarbazone group is twisted slightly away from the attached Cp ring in both molecules, the dihedral angles between the mean plane and the Cp ring being 15.3 (2) and 10.8 (2)°. The ethyl group in molecule A is coplanar with the mean plane of the semicarbazone group [C—N—C—C torsion angle = −175.2 (4)°], whereas it is nearly perpendicular in molecule B [C—N—C—C torsion angle = 84.8 (6)°]. In the crystal structure, intermolecular N—H⋯S hydrogen bonds link the molecules into dimers. These dimers are further linked into chains via intermolecular C—H⋯S hydrogen bonds. The crystal studied was a non-merohedral twin with a refined ratio of the twin components of 0.265 (2):0.735 (2).The asymmetric unit of title compound, [Fe(C DOI: 10.1107/S1600536810018209/rz2450Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The [Fe(H2O)6]2+ octahedron has point symmetry 3(CO)3]− anion has point symmetry 1 and mean bond lengths of Fe—Br = 2.455 (5) Å and Fe—C = 1.809 (2) Å. The cation and anion complexes are mutually linked via O—H⋯Br hydrogen bonds with O⋯Br distances of 3.340 (3) to 3.388 (3) Å.In the title compound, [Fe(H DOI: 10.1107/S1600536809036198/om2275Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II complex, [Co(C9H10NO2)2(C10H14N2O)2(H2O)2], is centrosymmetric. It contains two dimethylaminobenzoate (DMAB) and two diethylnicotinamide (DENA) ligands and two water molecules, all of them being monodentate. The four O atoms in the equatorial plane around the Co atom form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of DENA ligands with the Co—N distance of 2.1519 (11) Å in the axial positions. The Co atom is displaced out of the least-squares plane of the carboxylate group by −0.781 (1) Å. The dihedral angle between the carboxylate group and the adjacent benzene ring is 5.05 (7)°, while the pyridine and benzene rings are oriented at a dihedral angle of 71.48 (5)°. In the crystal structure, intermolecular O—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. Two weak C—H⋯π interactions are also present.The title Co DOI: 10.1107/S1600536809030980/xu2578Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two pyridine-2,6-dicarboxylate (pydc) ligands are bound to the NiII ion, giving an NiN2O4 bonded set. The coordination geometry around the NiII atom is distorted octahedral. There are two types of robust O—H⋯O hydrogen-bond synthons, namely R               6               6(24) and R               2               4(8), which link the complex anions and water molecules to each other. N—H⋯O hydrogen bonds connect the stacks of anions and cations in the structure. Other intermolecular interactions, including weak C—H⋯O hydrogen bonds, π–π [shortest centroid–centroid distance = 3.336 (7) Å] and C—O⋯π [O⋯centroid distance = 3.562 (10) Å] interactions, connect the various components.The title compound, (C DOI: 10.1107/S1600536810016776/hy2305Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The average Hf—O and Hf—N distances are 2.096 (3) and 2.398 (3) Å, respectively, and the average O—Hf—N bite angle is 70.99 (11)°. The crystal packing is controlled by π–π interactions between quinoline ligands of neighbouring molecules and hydrogen-bonding interactions. The interplanar distances vary between 3.138 (1) and 3.208 (2) Å, while the centroid–centroid distances range from 3.576 (1) to 4.074 (1) Å.In the title compound, [Hf(C DOI: 10.1107/S1600536809043244/bg2301Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Both RuIII atoms are octahedrally coordinated by four chloride ligands in the equatorial plane and by two DMSO molecules in apical positions within a RuCl4S2 donor set. The Na atom is surrounded by three chloride anions and three O atoms derived from three DMSO molecules, with the resulting Cl3O3 donor set defining an octahedron. The crystal structure is further stabilized by interatomic interactions of the types C⋯Cl [C—Cl = 3.284 (2) Å], C—H⋯Cl [C⋯Cl = 3.903 (3) Å] and C—H⋯O [C⋯O = 3.376 (3) Å].The structure of the title compound, [NaRuCl DOI: 10.1107/S1600536810007063/tk2632Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bpbda ligand, lying on an inversion center, bridges two CuI centres into a Z-shaped complex. Intramolecular π–π interactions between the dipyridophenazine ligand and the benzene ring of the bpbda ligand are observed [centroid–centroid distance = 3.459 (3) Å]. The crystal structure also involves intermolecular π–π interactions between the dipyridophenazine ligands [centroid–centroid distance = 3.506 (3) Å], which lead to a one-dimensional supramolecular structure.In the centrosymmetric dinuclear title compound, [Cu DOI: 10.1107/S1600536809031754/hy2208Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The distorted octahedral environment of MnII is defined by two N atoms [Mn—N = 2.217 (4) and 2.132 (5) Å] and one O atom [Mn—O 2.305 (4) Å]. There are intermolecular O—H⋯S hydrogen bonds and intermolecular π–π stacking interactions between adjacent (2-pyridyl)methanolate ligands [centroid–centroid distance = 3.5569 (7) Å], leading to a chain structure running along [100].In the title complex, [Mn(NCS) DOI: 10.1107/S1600536810034483/bg2365Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure contains a CoII ion surrounded by the L               2− ligand in a slightly distorted square-planar fashion. Intermolecular C—H⋯O hydrogen-bonding contacts between the dichloromethane solvent molecules and the methoxy or carboxylate O atoms are observed in the crystal structure. The planar complex molecules stack through inversion related π–π interactions between the six-membered rings of the vanillalimine half ligands. The distance between centroids is 3.498 (2) Å and the perpendicular distance is 3.345 Å. A partial stacking is observed with a centroid–centroid distance of 3.830 (2) Å, a perpendicular distance of 3.350 Å and a slippage of 1.856 Å.The title compound, [Co(C DOI: 10.1107/S160053680900083X/si2147Isup2.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 = 3.655 (3) Å] and by three intermolecular C—H⋯O non-classical hydrogen bonds.The title compound, C DOI: 10.1107/S1600536809008460/rk2133Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The metal atoms display a distorted tetragonal-pyramidal coordination geometry, and are linked by two μ               2- and two 3μ-hydroxo groups, assuming a chair-like conformation for the Cu4O2 core. In the crystal, the complex molecules are linked into a three-dimensional network by intermolecular O—H⋯O, O—H⋯Cl, C—H⋯O and C—H⋯Cl hydrogen bonds and π–π stacking interactions with centroid–centroid separations of 3.724 (2) and 3.767 (3) Å.The tetranuclear copper(II) title complex, [Cu DOI: 10.1107/S160053680804381X/rz2280Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The structure displays O—H⋯O hydrogen bonding and intermolecular π–π stacking interactions between 1,10-phenantroline ligands [interplanar distance of 3.448 (5) Å]. In the structure of the title complex, [Cu(C DOI: 10.1107/S1600536809011659/gk2199Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Three chloridoaluminate groups and a hexamethylbenzene molecule are bound to the central lanthanum(III) ion, forming a distorted pentagonal bipyramid with the η6-coordinated arene located at the apical position. The hexamethylbenzene ligand disordered between two orientations in a 1:1 ratio is also involved in parallel-slipped π–π stacking intermolecular interactions with a benzene solvent molecule [centroid–centroid distance 3.612 (4) Å].In the title compound, [Al DOI: 10.1107/S1600536809004899/cv2516Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules interact via aromatic π–π stacking interactions [centroid–centroid separation = 3.6741 (18) Å].In the title compound, [Pt(CH DOI: 10.1107/S1600536809055470/hb5294Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, intermolecular O—H⋯Cl hydrogen bonds link the molecules into a chain structure along [010]. There is a π–π contact between the pyridine rings [centroid–centroid distance = 3.824 (5) Å].The Ni atom in the title compound, [NiCl DOI: 10.1107/S1600536808043961/at2700Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The metal ion is coordinated via the thiazole nitrogen, imine nitrogen and thione sulfur atoms from each thiosemicarbazone ligand, and two coordinating units lie almost perpendicular to each other give dihedral angle = 81.89 (1)°]. One thiosemicarbazone unit is found to bind a chloride anion through two hydrogen bonds, while the other is linked with the disordered crystal water molecule. Two molecules are connected to each other through an intermolecular N—H⋯S interaction, forming a centrosymmetric dimer. Dimers are linked into sheets by π–π stacking of two phenyl rings [shortest C⋯C distance = 4.041 (3) Å].In the title compound, [Ni(C DOI: 10.1107/S1600536810013280/br2143Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The nitrate ion interacts with the copper center [Cu1⋯O3 = 2.579 (4) Å]. In the crystal, the cations, anions and water molecules are linked by O—H⋯O and O—H⋯N hydrogen bonds.In the title mononuclear complex, [Cu(C DOI: 10.1107/S1600536809052350/zq2021Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The diethyl ether molecule is located in a cavity provided by four O atoms of the ligand with weak C—H⋯O interactions, generating two short O⋯O contact distances [2.766 (3) and 2.745 (3) Å] between the diethyl ether molecule and the ligand. The crystal structure is stabilized by the weak C—H⋯O and C—H⋯N interactions and π–π interactions between the naphthyl ring system and the benzene ring [centroid–centroid distance = 3.657 (5) Å] and between the two naphthyl ring systems [centroid–centroid distance = 4.305 (2) Å].In the title complex, [Co(C For rel al. 1984; Marzill al. 1985; Álvarez al. 2002. For hyd al. 2002. For non al. 2002; De Ange al. 1996. For the al. 2008.       26H20N2O4)(NCS)]·C4H10O·CH2Cl2                         = 0.075                           wR(F                           2) = 0.136                           S = 1.21                           7241 reflections397 parametersH-atom parameters constrainedmax = 0.69 e Å−3                        Δρmin = −0.60 e Å−3                        Δρ                                 CrystalClear (Rigaku, 2001CrystalClear; data reduction: CrystalStructure (Rigaku/MSC, 2007SIR97 (Altomare et al., 1999SHELXL97 (Sheldrick, 2008SHELXL97; software used to prepare material for publication: CrystalStructure.Data collection: 10.1107/S1600536809000841/is2372sup1.cif            Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809000841/is2372Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Å]. In the crystal, molecules are connected into supramolecular chains via π–π interactions formed by the pyridine rings [centroid–centroid distance = 3.552 (3) Å] and these are connected into a two-dimensional array in the ac plane by C—H⋯π contacts. One of the tert-butyl groups is disordered over two orientations in a 0.734 (6):0.266 (6) ratio.The structure of the dinuclear title complex, [Cu al. 2006. Acta Cr DOI: 10.1107/S1600536810015060/hb5416Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The planar imidazole ring system [maximum deviation = 0.012 (3) Å] is oriented at a dihedral angle of 6.08 (5)° with respect to the protonated pyridine ring. An O—H⋯Cl interaction links the water molecule to the dianion. In the crystal structure, intermolecular O—H⋯Cl, N—H⋯O and N—H⋯Cl interactions link the molecules into a three-dimensional network.In the title compound, (C DOI: 10.1107/S1600536809024568/hk2717Isup2.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 = 3.9758 (5) Å].In the molecule of the title compound, [HgCl DOI: 10.1107/S1600536808032777/hk2551Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ZnII atom is bonded by two O atoms of the bidentate chelating sulfate ligand and four N atoms of the two chelating 2,2′-bipyridine ligands. The Zn—N bond distances range from 2.1287 (17) to 2.1452 (17) Å and the Zn—O bond distance is 2.1811 (15) Å. The two chelating NCCN groups subtend a dihedral angle of 81.1 (1)°. In the crystal structure, the [ZnSO4(C10H8N2)2] and C2H6O2 units are connected by intermolecular O—H⋯O hydrogen bonding, which leads to additional stabilization of the structure.The title compound, [Zn(SO DOI: 10.1107/S1600536809055433/bq2188Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, N—H⋯O and O—H⋯O hydrogen bonds, combined with weak (lone pair)⋯π [O⋯centroid distance = 3.401 (4) Å] and π–π stacking [centroid–centroid distance = 3.975 (3) Å] interactions, stabilize the three-dimensional supramolecular network.In the title compound, [Ag(NH DOI: 10.1107/S1600536810007725/hy2282Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two pyridine rings in each 2,2′-bipyridine ligand form dihedral angles of 10.75 (12) and 4.28 (13)°. The crystal packing is stabilized by interionic C—H⋯O hydrogen bonds, C—H⋯π interactions and aromatic π–π stacking interactions, with centroid–centroid distances of 3.616 (7) Å.In the cation of the title compound, [CoCl(C DOI: 10.1107/S1600536809049034/rz2393Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The [Zn2Cl6(C8H4O4)]4− anions lie on centres of inversion and comprise two ZnCl3 groups bridged by benzene-1,4-dicarboxylate. In addition to N—H⋯Cl and N—H⋯O hydrogen bonds between the cations and anions, solvent water molecules form O—H⋯O and O—H⋯Cl hydrogen bonds to give a three-dimensional network.The title compound, (C DOI: 10.1107/S1600536808033011/bi2304Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 2-pyridinium cations are linked to these chains through pyridinium–water N—H⋯O hydrogen bonds and a two-dimensional network is formed through water bridges between sulfonate and 2-nitro O atoms, while the structure also has weak cation–anion π–π aromatic ring interactions [minimum ring centroid separation = 3.8441 (13) Å].In the structure of the title salt, 2C DOI: 10.1107/S1600536810014819/ng2763Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the indole ring system, the benzene and pyrrole rings are nearly coplanar, forming a dihedral angle of 1.95 (8)°. The cyclohexenone ring has an envelope conformation. In the crystal structure, pairs of strong N—H⋯O hydrogen bonds link the molecules into centrosymmetric dimers with R               2               2(10) ring motifs. π–π contacts between parallel pyrrole rings [centroid–centroid distance = 3.776 (2) Å] may further stabilize the structure. A weak C—H⋯π interaction is also observed.The title compound, C DOI: 10.1107/S160053680902385X/xu2543Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Both the stibine and arsine ligands are equatorial with respect to the Ru3 triangle. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three stibine-substituted phenyl rings make dihedral angles of 84.3 (3), 80.4 (3) and 70.5 (3)° with each other. The dihedral angles between the two phenyl rings are 85.9 (3) and 75.2 (3)° for the two diphenylarsine groups. In the crystal packing, molecules are linked into chains down the c axis via intermolecular C—H⋯O hydrogen bonds. Weak intermolecular C—H⋯π interactions further stabilize the crystal structure.In the title  DOI: 10.1107/S1600536809049927/sj2682Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two terminal C atoms of one allyl group are disordered over two sites of equal occupancy. The crystal structure is stabilized by π–π stacking interactions, the centroid–centroid distance between nearly parallel [dihedral angle = 19.82 (4)°] benzene and imidazole rings being 3.7885 (15) Å.In the title compound, C DOI: 10.1107/S1600536810007890/xu2721Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, intermolecular O—H⋯ and O—H⋯N hydrogen bonds and π–π interactions [centroid–centroid separation = 3.5535 (13) Å] link the molecules into chains.In the title complex, [Mn(C DOI: 10.1107/S1600536809052659/hb5265Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


ZnN2O3 and ZnO5. All eight ZnII centers adopt a distorted square-pyramidal coordination; four ZnII ions have the N2O2 tetradentate Schiff base ligand bound in a basal plane and the coordinated water molecule occupying the apical site, while the remaing four ZnII ions are bound by five O atoms from three Schiff base ligands. In the crystal structure, ZnII complex molecules, coordinated and uncoordinated water molecules and dimethyl sulfoxide molecules are linked via O—H⋯O and C—H⋯O hydrogen bonds and C—H⋯π interactions, forming a three-dimensional framework.The asymmetric unit of the title compound, tetraaquatetrakis{μ II coordination complexes, see: Basak et al. 2007et al. 4(H2O)4]·4C2H6OS·2H2O = 0.050                           wR(F                           2) = 0.138                           S = 1.02                           5851 reflections314 parameters6 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.67 e Å−3                        Δρmin = −1.34 e Å−3                        Δρ                                 APEX2 (Bruker, 2005APEX2; data reduction: SAINT (Bruker, 2005SHELXTL (Sheldrick, 2008SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2003Data collection: 10.1107/S1600536808017340/ci2611sup1.cif            Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808017340/ci2611Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit contains one-half of the whole molecule, and there is an inversion center at the mid-point of the Cu⋯Cu bond. The octahedral coordination of each Cu atom, with four O atoms in the equatorial plane, is completed by the N atom of the 6-methylquinoline molecule [Cu—N = 2.212 (2) Å] and by another Cu atom [Cu⋯Cu = 2.6939 (13) Å]. The Cu atom lies 0.234 Å out of the plane of the four O atoms. The molecular packing is stabilized by one intramolecular C—H⋯O as well as C—H⋯π and π–π interactions.In the title compound, [Cu DOI: 10.1107/S1600536808016516/bx2146Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angles between the central benzene ring and the two outer rings are 7.62 (16) and 9.78 (17)°. The crystal structure is stabilized by intermolecular C—H⋯O hydrogen bonds and π–π interactions with a centroid–centroid distance of 3.8218 (19) Å.In the title Schiff base complex, [Ni(C DOI: 10.1107/S1600536810035890/su2210Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


It is further extended to a two-dimensional layer structure by hydrogen bonds and π–π stacking interactions [centroid-centroid distances of 3.560 (2) and 3.666 (2) Å]. There is a C4 water chain in the structure whose repeat unit contains four water molecules with O⋯O distances in the range 2.748 (3)–2.795 (4) Å. One of the two H atoms of each water of hydration is statistically distributed over two positions with equal occupancy.The title complex, {[Cd(C DOI: 10.1107/S1600536808037203/pv2111Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Hydrogen bonding O—H⋯O between water molecules and between water anions as well as π–π interactions [centroid–centroid distances between phen rings = 3.38 (7) and 3.40 (5) Å] are responsible for the supramolecular assembly.In the title compound, [Cu(CHO DOI: 10.1107/S1600536808035320/pk2125Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the anionic polymer, the Mn2+ ions are bridged by the pyridinecarboxylate (pic) anion ligand, forming a chain structure along the c axis. The Mn2+ ion is six-coordinated in a distorted octahedral environment by one N atom of the pyridine ring, two O atoms of the two carboxylate groups, one O atom of the water molecule and two Br atoms. The compound displays intermolecular N—H⋯O, N—H⋯Br, O—H⋯Br and O—H⋯O hydrogen bonding. There may also be intermolecular π–π interactions between adjacent pyridine rings, with a centroid–centroid distance of 3.992 (4) Å.The asymmetric unit of the title compound, {(C DOI: 10.1107/S1600536809016316/cs2117Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


These polymeric chains generate microchannels extending along [100], and these cavities are occupied by discrete tetradecameric water clusters, which interact with their surroundings and finally furnish the three-dimensional supramolecular network via 15 O—H⋯O, one O—H⋯S, two O—H⋯N and six N—H⋯O classical hydrogen bonds. 4,4-Bipyridine acts as an inserting component and hydrogen-bond acceptor, and it is a nonplanar molecule with a dihedral angle of 33.12 (13)° between the pyridine rings. Owing to the numerous classical hydrogen bonds, the observed weak intermolecular C—H⋯O, C—H⋯π and π–π stacking interactions can be neglected with regard to stabilizing the network.In the title compound, {[La DOI: 10.1107/S1600536808031450/si2111Isup2.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 five-membered ring containing the Cu atom and a pyridine ring of a neighboring complex [centroid–centroid distance = 3.567 (2) Å and a perpendicular distance of 3.394 Å]. The crystal structure also contains intermolecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds, linking cations and anions. In addition, there is a short intermolecular contact [2.784 (6) Å] between an O atom of the coordinated nitrate group and its symmetry-related atom.In the title mononuclear complex, [Cu(NO DOI: 10.1107/S1600536808015523/wn2264Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atoms in the crystal structure of the title compound, (C2H10N2)[HgBr4]·H2O, are tetrahedrally coordinated by four Br atoms and the resulting [HgBr4]2− ions are interconnected to the [NH3—CH2—CH2—NH3]2+ ions and water molecules by N—H⋯Br and O—H⋯Br bonds, forming a three-dimensional network. N—H⋯O interactions are also present. The observed three different Hg—Br distances of 2.5597 (6), 2.6862 (8) and 2.6923 (8) Å in the tetrabromomercurate unit are due to the connection of Br atoms to different numbers of H atoms. The Hg, O and two Br atoms are located on a crystallographic mirror plane. The cation has The Hg DOI: 10.1107/S160053680902772X/bt5004Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The diimine ligand is equatorial and is bonded to the Re centre in an N,N′-bidentate chelating fashion, with a bite angle of 77.7 (2)°. The dihedral angle between the two benzene rings is 88.7 (6)°. In the crystal structure, there are F⋯O [2.856 (9) Å], Cl⋯C [3.150 (8) Å] and O⋯C [2.984 (10) Å] contacts which are shorter than the sum of the van der Waals radii for these atoms. In addition, symmetry-related molecules are linked via intermolecular C—H⋯O, C—H⋯Br and the F⋯O interactions into one-dimensional chains extending along the a axis. The crystal structure is further stabilized by intermolecular π–π interactions [centroid–centroid distance = 3.571 (5) Å].In the title compound, [ReBr(C DOI: 10.1107/S1600536809001044/lh2753Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The compound is a seven-coordinate binuclear polymeric complex with distorted pentagonal bipyramidal geometry around CdII [Cd—O = 2.247 (4)–2.474 (3) Å]. In the binuclear monomeric units, the central atoms join together by O atoms of two bridging tridentate (hypydc)2− ligands, and the polymer propagates via two bridging water molecules that link each CdII centre of one monomer to the adjacent neighbour. Propane-1,3-diamine (pn) does not appear in the product but plays a role as a base. Intermolecular O—H⋯O and C—H⋯O hydrogen bonds, and π–π stacking interactions, with distances of 3.725 (3) and 3.766 (3) Å, connect the various components.The title polymeric compound, {[Cd DOI: 10.1107/S1600536808030869/om2258Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CdII atom shows a distorted octahedral environment, with four N atoms from two chelating 2,2′-bipyridine ligands forming the equatorial plane and two sulfonate O atoms from two 9,10-dioxoanthracene-1,5-disulfonate anions occupying the apical positions. Weak C—H⋯O hydrogen-bonding contacts and π–π interactions [centroid–centroid distances = 3.6920 (12) and 3.7095 (12) Å] connect the complex molecules into a three-dimensional supramolecular framework.The title complex, [Cd(C DOI: 10.1107/S1600536809046881/si2219Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The NiII atom is coordinated by two N atoms [Ni—N = 1.839 (2) Å] and two O atoms [Ni—O = 1.8253 (19) Å] in an approximately square-planar geometry. In the crystal structure, intermolecular O—H⋯O hydrogen bonds link the molecules into a chain along [001].The monomeric title nickel(II) complex of a salicylaldimine, [Ni(C DOI: 10.1107/S160053680904063X/ds2006Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cu⋯Cu separation is 2.5912 (4) Å. In the crystal, the molecules are linked into polymeric chains propagating in [001] by intermolecular O—H⋯O hydrogen bonds and C—H⋯π interactions.In the title compound, [Cu DOI: 10.1107/S1600536810013322/bq2206Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The conformation of the dimer is stabilized by intermolecular C—H⋯O hydrogen bonds and by π–π aromatic stacking interactions involving the pyridine and benzene rings with centroid–centroid separations of 3.624 (3) Å.The dinuclear title complex, [Cu DOI: 10.1107/S1600536809053665/rz2402Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CoII atom is coordinated by four O and two N atoms from two pydc ligands in a distorted octahedral environment. The structure also contains three uncoordinated water molecules. Extensive intermolecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, π–π stacking interactions [centroid–centroid distances = 3.565 (14) and 3.425 (14) Å] and O⋯π interactions [O⋯centroid distance = 3.480 (2) Å] connect the various components in the crystal structure.The title compound, (C DOI: 10.1107/S1600536809021837/hy2201Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the aromatic rings in the ligand is 8.70 (16)°. The S atom is disordered over two positions in a 0.901 (6):0.099 (6) ratio. In the crystal, molecules interact by way of π–π stacking interactions [centroid–centroid separation = 3.720 (2) Å].In the title compound, [Cu(C DOI: 10.1107/S1600536810014212/hb5406Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Ni ion is coordinated by two N [Ni—N = 1.8462 (18) Å] and two O [Ni—O = 1.8645 (14) Å] atoms in a distorted square-planar geometry. The water molecule and the Ni complex molecule are paired via O—H⋯O hydrogen bonds.In the title compound, [Ni(C DOI: 10.1107/S1600536808039822/cv2487Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Short centroid–centroid distances [3.762 (5) and 3.867 (5) Å] between the aromatic rings of neighbouring cations suggest the existence of π–π interactions. Intermolecular O—H⋯Br hydrogen bonds and weak C—H⋯O and C—H⋯Br interactions consolidate the crystal packing.In the title compound, [CuBr(C DOI: 10.1107/S1600536809048995/cv2644Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Pairs of complex molecules related by inversion centers are organized into dimers via pairs of Pb⋯O interactions [3.185 (2) Å] and stacking interactions between 2,2′-bipyridine and 4-methylbenzoate ligands, with a mean distance between their planes of 3.491 Å.In the title compound, [Pb(C DOI: 10.1107/S1600536810005544/gk2256Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NiII atom lies on an inversion centre and is coordinated by four S atoms of O,O′-diphenethyl dithiophosphate molecules and two N atoms of 4-methylpyridine molecules. Important geometric data include Ni—N = 2.100 (3) Å, and Ni—S = 2.5101 (10) and 2.4772 (11) Å.The title complex, [Ni(C DOI: 10.1107/S1600536808020898/dn2365Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An offset face-to-face π–π stacking interaction [centroid–centroid distance = 3.674(4) Å] and N—H⋯N and N—H⋯O hydrogen-bonding interactions give rise to a one-dimensional supramolecular structure in the solid state.In the centrosymmetric title compound, [Ni(C DOI: 10.1107/S1600536808001116/pk2081Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


One pair of phenyl rings attached to the two different P atoms are almost parallel, as are the other pair [dihedral angles = 8.7 (5) and 8.9 (5)°]. The planes of the two cyclopentadienyl rings are inclined by 26.8 (7)° with respect to each other. The carbonyl groups at each Fe atom are almost perpendicular [C—Fe—C = 92.6 (6) and 94.3 (5)°].The title compound, [Fe DOI: 10.1107/S1600536808014931/bq2081Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination geometry is distorted tetrahedral, with Sn—C bond lengths in the range 2.133 (6)–2.188 (6) Å and with an Sn—S bond length of 2.4516 (19) Å. The nonbonded S atom of the piperidinedithiocarboxylate anion makes an Sn⋯S contact of 3.174 (3) Å.In the title compound, [Sn(C DOI: 10.1107/S1600536808021909/bi2291Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Ni atom lies on a crystallographic twofold rotation axis. The asymmetric unit contains one half-molecule of the complex and a water molecule. An intermolecular O—H⋯O hydrogen bond forms a four-membered ring, producing an R               1               2(4) ring motif involving a bifurcated hydrogen bond to the phenolate O atoms of the complex molecule. In the crystal structure, molecules are linked by π–π stacking interactions, with centroid–centroid distances in the range 3.5750 (11)–3.7750 (11) Å. As a result of the twofold symmetry, the central benzene ring makes the same dihedral angle of 15.75 (9)° with the two outer benzene rings. The dihedral angle between the two hydroxyphenyl rings is 13.16 (5)°. In the crystal structure, molecules are linked into infinite one-dimensional chains by directed four-membered O—H⋯O—H interactions along the c axis and are further connected by C—H⋯O and π–π stacking into a three-dimensional network. An interesting feature of the crystal structure is the short Ni⋯O, O⋯O and N⋯N interactions which are shorter than the sum of the van der Waals radii of the relevant atoms. The crystal structure is stabilized by intermolecular O—H⋯O and C—H⋯O hydrogen bonds and by π–π stacking interactions.In the title complex, [Ni(C DOI: 10.1107/S1600536808026093/pk2114Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Weak intermolecular C—H⋯Br hydrogen bonds and π–π stacking interactions between the pyridine rings [centroid–centroid distances = 3.763 (5) and 3.835 (6) Å] contribute to crystal-packing effects.In the title compound, [ZnBr DOI: 10.1107/S1600536810035658/jj2041Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The MgII ion is coordinated by four N atoms from two 1,10-phenanthroline ligands and two O atoms from coordinated water molecules in a distorted octahedral geometry. Intermolecular O—H⋯N and O—H⋯O hydrogen bonds and π–π interactions between the aromatic rings [shortest centroid–centroid separation = 3.527 (2) Å] link the cations, anions and 1,10-phenanthroline solvent molecules into a hydrogen-bonded cluster.In the title compound, [Mg(C DOI: 10.1107/S1600536809030128/cv2597Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, the carboxyl groups are involved in intermolecular O—H⋯O hydrogen bonds, which link the molecules into centrosymmetric dimers. These dimers are further packed into stacks along the c axis by weak C—H⋯π interactions. In addition, the stacked molecules exhibit a Br⋯S interaction of 3.4787 (7) Å.The title compound, C DOI: 10.1107/S1600536809005376/fj2195Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intramolecular C—H⋯O interactions occur. The molecules are connected by intermolecular N—H⋯O, N—H⋯N and C—H⋯O hydrogen-bonding interactions and C—H⋯π stacking interactions, forming a three-dimensional supramolecular frameworkIn the title compound, [Sb(C DOI: 10.1107/S1600536809043578/gk2233Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the anion, four distorted [MoO6] octahedra are connected via edge-sharing, forming an [Mo4O13]2− building block, composed of Mo—O(t), Mo—O(μ2), Mo—O(μ3) and Mo—O(μ4) units, with Mo—O distances ranging from 1.6858 (15) to 2.4785 (13) Å. The γ-type [Mo8O26]4− anion is completed by crystallographic inversion symmetry and is linked into an infinite chain along [100] by corner-sharing. The anionic chains and the cations are joined by N—H⋯O hydrogen bonds, generating layers extending parallel to (001).In the title compound, {(C DOI: 10.1107/S1600536810010111/wm2312Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two benzothiazole-2-thiolate ligands chelate via their thiazole N and thiolate S atoms while the methyl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetate also acts as a chelate ligand binding through the thiazole and imino N atoms. Intramolecular N—H⋯N, C—H⋯N and C—H⋯O interactions contribute to the molecular conformation. In the crystal structure, intermolecular N—H⋯O hydrogen bonds produce R               1               2(6) rings and generate chains along the c axis. An extensive one-dimensional supramolecular network of N—H⋯O hydrogen bonds and C—H⋯π interactions is responsible for the crystal structure stabilization.In the title compound, [Ni(C DOI: 10.1107/S1600536810015072/sj2774Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The other Sn atom also has a distorted trigonal bipyramidal geometry, being coordinated by two O atoms of two carboxylate anions, one bridging O atom and two butyl groups. An interesting feature of the crystal structure is the short Sn⋯O [2.756 (4) Å] and O⋯O [2.608 (3) Å] interactions. The –BrCH2—CHBr– segments of the two carboxylate anions are disordered over two positions [site occupancies of 0.60 (1)/0.40 (1) and 0.53 (2)/0.47 (2)]. Weak non-directional C—H⋯O interactions lead to the formation of infinte chains along the a axis; other weak intermolecular C—H⋯π interactions are also present.In the centrosymmetric tetranuclear title complex, [Sn DOI: 10.1107/S1600536808037513/ng2514Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, aromatic π–π stacking occurs [centroid–centroid distances 3.7630 (14) and 3.7269 (15) Å], as well as an extensive O—H⋯O and C—H⋯O hydrogen-bonding networkIn the title compound, [Co(C DOI: 10.1107/S1600536808019843/hb2753Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In athymic rats, γ/δ T-cells expressing intracellular β proteinare present but at a lower frequency than in euthymic controls, suggesting that in the thymus,more γ/δ T-cell precursors pass through a stage where functional β rearrangement hasoccurred than in extrathymic sites. Analysis of TCR expression in purified transitory immatureCD4-8+ (iCD8SP) thymocytes and their spontaneously developing CD4+8+ (DP) progenyshowed that TCRγ mRNA is expressed in iCD8SP cells but not in their immediate DPprogeny that reinitiate RAG-1 transcription and commence α/βTCR expression. We concludethat rat γ/δ T cells can separate from the α/β lineage after TCRβ expression, but not afterentry into the DP compartment.The relationship between α/β and γ/δ T-cell lineages was studied in rats using RT-PCR analysisof TCRβ transcripts in γ/δ T-cell hybridomas and an intracellular staining technique todetect TCRβ protein in primary γ/δ T-cells. We report the presence of functional TCRβ transcriptsin 2/9 γ/δ T-cell hybridomas. About 15 % of peripheral γ/δ T-cells and thymocytes alsoexpress TCRβ protein, giving a minimum estimate for successful Tcrb rearrangement basedon


The two CdII ions are connected by two tridentate bridging 2-hydroxybenzoate anions. Each CdII ion is seven-coordinated by five O atoms from three 2-hydroxybenzoate ligands and two N atoms from 1,10-phenanthroline. The 2-hydroxybenzoate molecules adopt two kinds of coordination mode, bidentate chelating and tridentate bridging–chelating. Intramolecular hydrogen bonds between hydroxy and carboxylate groups from 2-hydroxybenzoate groups and π–π stacking interactions between parallel 1,10-phenanthroline ligands [centroid–centroid distances = 3.707 (3) and 3.842 (3) Å] are observed. Furthermore, adjacent benzene rings from 2-hydroxybenzoate ligands are involved in π–π interactions with interplanar distances of 3.642 (3) Å, thereby forming a chain along the a axis direction.The dinuclear title compound, [Cd DOI: 10.1107/S1600536808033886/zl2145Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each PtII center is coordinated by the amine groups of two (1-adamantylmethyl)amine ligands and two Cl atoms in a cis-square-planar arrangement. The PtII centers lie slightly outside [0.031 (4) and 0.038 (4) Å] the coordination planes. The N—Pt—N and Cl—Pt—Cl angles [92.1 (4)–92.30 (11)°] are slightly more open than the N—Pt—Cl angles [87.3 (3)–88.3 (3)°]. N—H⋯O and N—H⋯Cl intermolecular hydrogen bonds are observed, forming two discrete pairs of complexes and solvent molecules.The asymmetric unit of the title compound {systematic name:  DOI: 10.1107/S1600536809037982/hy2221Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The carboxylate groups are approximately coplanar with the thiophene ring [dihedral angle = 4.0 (1)°] and the Sn—O bond distance of 2.058 (4) Å is comparable to that in related organotin carboxylates.Molecules of the title compound, [Sn DOI: 10.1107/S1600536809020273/bi2371Isup2.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 Ni atom form a slightly distorted square-planar arrangement with an average Ni—O bond length of 2.079 Å, and the slightly distorted octahedral coordination is completed by the two N atoms of the nicotinamide (NA) ligands in the axial positions. The dihedral angle between the carboxyl group and the attached benzene ring is 28.28 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 8.31 (4)°. In the crystal structure, O—H⋯O, N—H⋯O, C—H⋯O, and C—H⋯F hydrogen bonds link the molecules into a three-dimensional network. π–π Contacts between the pyridine and benzene rings [centroid–centroid distance = 3.626 (1) Å] may further stabilize the crystal structure. The 2-fluorobenzoate anion is disordered over two orientations, with an occupancy ratio of 0.85:0.15.The asymmetric unit of the title complex, [Ni(C N,N-diethylnicotinamide, see: Bigoli et al. 2(H2O)4](C7H4FO2)2                         = 0.026                           wR(F                           2) = 0.071                           S = 1.04                           3339 reflections221 parameters7 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.55 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/S1600536809040392/xu2610sup1.cif            Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809040392/xu2610Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Since assay constraints limited the data at lower doses, conventional analysis was not feasible and a ‘population approach’ was used. Bound concentrations were best described by a biexponential model and further analyses revealed a small influence of dose or weight on V1 but no identifiable effects of age, body surface area, renal or hepatic function. The final model was: clearance (Q) 0.194 l h−1; central compartment volume (V1) 4.48 × (1+0.00074 × dose (mg)) l; peripheral compartment volume (V2) 7.94 l; intercompartmental clearance 0.685 l h−1. Distribution and elimination half-lives had median estimates of 2.7 h and 49 h respectively. Free doxorubicin was present at most sampling times with concentrations around 1000 times lower than bound doxorubicin values. Data were best described using a biexponential model and the following parameters were estimated: apparent clearance 180 l h−1; apparent V1 (l) 1450 × (1+0.0013 × dose (mg)), apparent V2 (l) 21 300 × (1–0.0013 × dose (mg)) × (1+2.95 × height (m)) and apparent Q 6950 l h−1. Distribution and elimination half-lives were 0.13 h and 85 h respectively. © 1999 Cancer Research CampaignDoxorubicin pharmacokinetics were determined in 33 patients with solid tumours who received intravenous doses of 20–320 mg m


The structure contains [Mn(C10H8N2)(H2O)4]2+ cations with the MnII atoms lying on a centres of inversion and bridged into a linear chain along the a axis by 4,4′-bipy ligands, surrounded by HL               − anions and uncoordinated water molecules. Extensive O—H⋯O hydrogen-bonding and weak π–π interactions [centroid–centroid distance = 3.7572  (3) Å] between the constituents lead to the formation of a three-dimensional supramolecular network.The title compound, {[Mn(C DOI: 10.1107/S1600536809028360/at2846Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Adjacent silver complexes are primarily linked together by Ag⋯N interactions, with Ag⋯N separations of 2.877 (2) and 3.314 (2) Å. On the other hand, one CF3SO3               − anion interacts with hydrazone groups of two neighbouring ligands via N—H⋯O hydrogen bonds. These weak intermolecular interactions contribute to the formation of supramolecular chains. In addition, there are Ag⋯O interactions [2.787 (2) Å] between Ag and O atoms from adjacent chains.In the title compound, [Ag(C DOI: 10.1107/S1600536809039579/bh2248Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atoms in the two independent molecules of the title compound, [Cu(C7H5O3)2(C14H12N2)], are each coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) molecule and two monodentate 2-hydroxybenzoate anions in a distorted tetrahedral geometry. The crystal packing is stabilized by intramolecular hydrogen bonding and π–π interactions between the dmphen rings of neighboring molecules, with distances between their ring planes of 3.5670 (4) and 3.5181 (9) Å.The Cu DOI: 10.1107/S1600536808036283/hg2438Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The L ligands are coordinated to the HoIII ions in three modes: chelating, bridging and bridging–tridentate. Intramolecular C—H⋯O interactions occur. The crystal packing is stabilized by intermolecular C—H⋯O interactions and weak aromatic π–π interactions between phen molecules and the aromatic rings of the L ligands [centroid–centroid distance = 3.821 (2) Å].In the centrosymmetric title compound, [Ho DOI: 10.1107/S1600536810036408/pv2299Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The PdII cation is situated on an inversion centre and exhibits an almost square-planar coordination by the S atoms of the TU ligands. The complex cations are connected through the thiocyanate ions via N—H⋯N [2.922 (3)–3.056 (3) Å] and N—H⋯S [3.369 (2)–3.645 (2) Å] hydrogen bonds.The title compound, [Pd(CH DOI: 10.1107/S160053680801088X/wm2176Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, the decavanadate [V10O28]6− anion 3}2(μ-H2O)2]2+ units. Interconnection of these aquasodium-ion-sandwiched decavanadates to chains parallel to [001] is effected by μ-[{Na(H2O)3}2(μ-H2O)2]2+ units, bridging adjacent decavanadates via O=V. The structure is consolidated by an extensive network of  O—H⋯O hydrogen bonds.The title compound, {[Na(H DOI: 10.1107/S1600536810010251/br2141Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing exhibits intermolecular O—H⋯O and C—H⋯O hydrogen bonds and π–π interactions evidenced by relatively short distances [3.525 (5)–3.937 (6) Å] between the centroids of the six-membered rings of neighbouring molecules.In the title compound, [Cd(C DOI: 10.1107/S1600536807067918/cv2375Isup2.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. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three arsine-substituted phenyl rings make dihedral angles of 87.36 (10), 81.96 (10) and 73.37 (11)° with each other. The dihedral angles between the two phenyl rings are 88.08 (12) and 80.15 (10)° for the two diphenylphosphino groups. In the crystal packing, the molecules are linked together as dimers via intermolecular C—H⋯O hydrogen bonds. These dimers are stacked down b axis. Intermolecular C—H⋯π and π–π interactions [centroid–centroid distance = 3.6383 (13) Å] further stabilize the crystal structure.In the title  DOI: 10.1107/S1600536809046704/sj2670Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials: