metal-organic compounds
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In the title compound, K3[Cu(C10H12N2O10P)]·2H2O, the CuII ion, one potassium cation and a P atom are situated on a twofold rotation axis. The CuII ion is coordinated by two N and four O atoms from one bis{[bis(carboxylatomethyl)amino]methyl}phosphinate ligand in a distorted octahedral coordination geometry. The two crystallographically independent potassium ions exhibit different coordination environments. The potassium ion in a general position is heptacoordinated by five carboxylate O atoms, one phosphinate O atom and one water molecule [K—O = 2.718 (3)–3.040 (3) Å], and the potassium ion situated on the twofold rotation axis is hexacoordinated by four carboxylate O atoms and two water molecules [K—O = 2.618 (3)–2.771 (3) Å]. The water molecules are also involved in formation of intermolecular O—HO hydrogen bonds.
metal-organic compounds
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In the cation of the title salt, [Ag(C12H6N2O2)2](C7H3N2O7), the AgI atom is coordinated in a distorted tetrahedral geometry by four N atoms from two 1,10-phenanthroline-5,6-dione ligands, while the 3,5-dinitrosalicylate anion has only a short contact [2.847 (6) Å] between one of its O atoms and the AgI atom. The dihedral angle between the two 1,10-phenanthroline-5,6-dione ligands is 58.4 (1)°. There is an intramolecular O—HO hydrogen bond in the 3,5-dinitrosalicylate anion.
organic compounds
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In the crystal structure of the title compound, C18H13N5·H2O, adjacent molecules are linked by O—HN and N—HO hydrogen bonds, generating a chain propagating along [001].
metal-organic compounds
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The title compound, [Cu4Br4(C21H22Br2N4)4], features a macrocyclic Cu4L4 ring system in which each CuI atom is coordinated by one bromide ion and two N atoms from two 2,2′-dimethyl-1,1′-[2,2-bis(bromomethyl)propane-1,3-diyl]di(1H-benzimidazole) (L) ligands in a distorted trigonal–planar geometry. The L ligands adopt either a cis or trans configuration. The asymmetric unit contains one half-molecule with the center of the macrocycle located on a crystallographic center of inversion. Each bromide ion binds to a CuI atom in a terminal mode and is oriented outside the ring. The macrocycles are interconnected into a two-dimensional network by π–π interactions between benzimidazole groups from different rings [centroid–centroid distance = 3.803 (5) Å.
organic compounds
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In the title compound, C16H21N3O3, the piperazine ring adopts a chair conformation, with its N—C bonds in pseudo-equatorial orientations. In the crystal, molecules are linked by O—HN hydrogen bonds, generating C(5) chains propagating in [101]. Weak aromatic π–π stacking interactions also occur [centroid–centroid separation = 3.899 (1) Å].
organic compounds
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The title molecule, C4OS5, is essentially planar, with an r.m.s. deviation of 0.032 (3) Å. All the C—S single bonds are shorter than the standard Csp3—S single-bond length, showing the π-conjugated nature of the molecule. In the crystal, molecules lie parallel to one another and pack in columns along the a axis. Short intermolecular SS contacts [3.314 (3), 3.482 (2) and 3.501 (2) Å] are observed between the columns. The angle between the two molecular dipole moments in the unit cell is 39.3 (1)° and the macro-polarization vector is along the [1 0 − 1.41] direction. As a result of the high polarization and π-conjugation of the structure, the crystalline powder exhibits a second harmonic generating intensity, which is as strong as that of the urea standard powder crystals, when irradiated by a 1053 nm laser beam. The diffraction space of the crystal showed a nonmerohedral twinning.
metal-organic compounds
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The hydrothermal reaction of Zn(CH3COO)2, NaOH and L-cysteic acid produced the title compound, [Na2Zn(C3H5NO5S)2]n. The ZnII cation is situated on an inversion centre and is in a distorted octahedral environment, being chelated by two deprotoned L-cysteic acid ligands through two amino N atoms and two carboxylic O atoms, with the two axial positions occupied by two carboxylic O atoms from two other L-cysteic acid ligands. Each L-cysteic acid ligand bridges five NaI ions via its sulfonate group and two ZnII ions via its carboxyl group, forming a three-dimensional framework. Weak N—HO hydrogen bonding is observed in the crystal structure.
organic compounds
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The title compound, C21H22Br2N4·0.5H2O, contains two benzimidazole groups which may provide two potential coordination nodes for the construction of metal–organic frameworks. The mean planes of the two imidazole groups are almost perpendicular, with a dihedral angle of 83.05 (2)°, and adjacent molecules are linked into a one-dimensional chain by π–π stacking interactions between imidazole groups of different molecules [centroid-to-centroid distances of 3.834 (2) and 3.522 (2) Å].
metal-organic compounds
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In the title compound, [Ni(C6H3ClNO2)2(H2O)4]·4H2O, the NiII ion is located on an inversion centre and is octahedrally coordinated by four O atoms from four water molecules in the equatorial plane and two O atoms of two 6-chloro-3-carboxylate ligands in axial positions. There are also four lattice water molecules present. The organic ligands are bound to the NiII ion in a monodentate manner through a carboxylate O atom. There is one strong intramolecular O—HO hydrogen bond and six intermolecular O—HO and O—HN hydrogen-bonding interactions in the packing, resulting in a complex three-dimensional network structure.
metal-organic compounds
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In the title compound, [Co(C6H3ClNO2)2(H2O)4]·4H2O, the CoII cation is located on an inversion center and is coordinated by four water molecules and two 6-chloropyridine-3-carboxylate anions in a slightly distorted octahedral geometry. In the crystal, complex molecules and lattice water molecules are linked by O—HO and O—HN hydrogen bonds into a three-dimensional network.
metal-organic compounds
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In the title compound, {[Cu(C11H5NO4)(H2O)2]·H2O}n, the CuII ion is five-coordinated by two O atoms and one N atom of two symmetry-related quinoline-2,3-dicarboxylate ligands, and two water molecules. The water molecules occupy basal and apical positions of the square-pyramidal coordination polyhedron. Each quinoline-2,3-dicarboxylate dianion bridges two adjacent CuII ions, forming a polymeric chain along [010]. The chains are further connected via O—HO hydrogen-bonding interactions and quinoline ring π–π interactions [centroid–centroid distance = 3.725 (4) Å], generating a three-dimensional structure. Lattice water molecules participate in the crystal structure via O—HO hydrogen bonds.