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In the binuclear copper(II) title complex, [Cu2(C9H7O4)4(C2H3N)2], an inversion centre is situtated at the mid-point of the Cu—Cu bond. The CuII atom together with its four coordinated O atoms are in a distorted planar square arrangement while the nitrogen and the other CuII atom are located in apical positions. The whole molecule looks like a paddle-wheel. In the crystal, chains are assembled along the b axis through C—H
O hydrogen bonds and slipped π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.6929 (3) Å and slippage = 0.641 (1) Å].
O hydrogen bonds and slipped π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.6929 (3) Å and slippage = 0.641 (1) Å].inorganic compoundsOpen access
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Single crystals of dineodymium(III) dititanium(IV) heptaoxide, Nd2Ti2O7, were synthesized by the flux method and found to belong to the family of compounds with perovskite-type structural motifs. The asymmetric unit contains four Nd, four Ti and 14 O-atom sites. The perovskite-type slabs are stacked parallel to (010) with a thickness corresponding to four corner-sharing TiO6 octahedra. The Nd and Ti ions are displaced from the geometrical centres of respective coordination polyhedra so that the net polarization occurs along the c axis. The investigated crystals were all twinned and have a halved monoclinic unit cell in comparison with the first structure determination of this compound [Scheunemann & Müller-Buschbaum (1975). J. Inorg. Nucl. Chem. 37, 2261-2263].
metal-organic compoundsOpen access
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In the title compound, [Ag6(C12H10N3OS)6]·4C3H7NO, the hexanuclear complex molecule lies about an inversion center. The six Ag atoms form a distorted octahedron, with AgAg distances in the range 2.933 (1)–3.401 (1) Å. Each Ag atom is surrounded by one N atom and two thiolate S atoms from two deprotonated 2-hydroxy-1-naphthaldehyde thiosemicarbazone ligands. Each ligand coordinates three Ag atoms via a bridging thiolate S atom and a monodentate N atom, thus two Ag3S3 hexagonal rings are linked together. Two dimethylformamide solvent molecules are located in four sets of sites with half-occupancy and form OH—N hydrogen bonds to the complex molecule. Intramolecular O—HN hydrogen bonds are also present. The discrete hexanuclear clusters are further linked through π–π interactions into layers parallel to (001), the shortest distance between the centroids of aromatic rings being 3.698 (2) Å.
Ag distances in the range 2.933 (1)–3.401 (1) Å. Each Ag atom is surrounded by one N atom and two thiolate S atoms from two deprotonated 2-hydroxy-1-naphthaldehyde thiosemicarbazone ligands. Each ligand coordinates three Ag atoms via a bridging thiolate S atom and a monodentate N atom, thus two Ag3S3 hexagonal rings are linked together. Two dimethylformamide solvent molecules are located in four sets of sites with half-occupancy and form OH—N hydrogen bonds to the complex molecule. Intramolecular O—HN hydrogen bonds are also present. The discrete hexanuclear clusters are further linked through π–π interactions into layers parallel to (001), the shortest distance between the centroids of aromatic rings being 3.698 (2) Å.metal-organic compoundsOpen access
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In the asymmetric unit of the title compound, (C16H38N2O6)[Zn(C3S5)2], two independent cations lie across inversion centers. In one of the cations, the three symmetry-unique O—H groups are disordered over two sets of sites with refined occupancy ratios of 0.701 (9):0.299 (9), 0.671 (8):0.329 (8) and 0.566 (7):0.434 (7). In the anion, the ZnII ion is coordinated in a distorted tetrahedral environment by four S atoms of two chelating 1,3-dithiole-2-thione-4,5-dithiolato ligands. The dihedral angle between the mean planes [maximun deviations = 0.022 (3) and 0.0656 (6) Å] of the two ligands is 87.76 (3)°. An intamolecular O—HO hydrogen bond occurs in the disordered cation. In the crystal, O—HO and O—HS hydrogen bonds link the components into a two-dimensional network parallel to (0-11).
O hydrogen bond occurs in the disordered cation. In the crystal, O—HO and O—HS hydrogen bonds link the components into a two-dimensional network parallel to (0-11).organic compoundsOpen access
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The title compound, C20H20O3, contains two fused rings with a quaternary carbon centre connecting p-toluoyl and ethoxycarbonyl groups. The dihedral angle between the fused benzene ring and the three-C-atom plane (derived from O=C—C—C=O) is 82.5 (4)°, whereas the dihedral angle between the planes of the benzene rings is 53.4 (2)°. In the crystal, molecules are linked via C—HOester hydrogen bonds, forming chains propagating along [010].
Oester hydrogen bonds, forming chains propagating along [010].metal-organic compoundsOpen access
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The title compound, Na(C2H10N2)[Co(C2O4)(C2H8N2)2]4[H5(P2W18O62)2]·14H2O, prepared under hydrothermal conditions, consists of two Dawson-type [P2W18O62]6− anions, four isolated [Co(en)2(ox)]+ cations (en = ethylenediamine and ox = oxalate), one Na+ cation, one [H2en]2+ cation, and a number of ordered (14) and disordered solvent water molecules. The [P2W18O62]6− polyoxidometalate anion has site symmetry 1 and contains two structurally distinct types of W atoms: viz. six W atoms on vertical pseudo-mirror planes grouped in two sets of three, and 12 equatorial W atoms that do not lie in the pseudo-mirror planes grouped in two sets of six. In each [Co(en)2(ox)]+ cation, the CoIII ion is coordinated by four N atoms from two en ligands and two O atoms from the ox ligands, completing a distorted octahedral structure. The sodium cation lies on an inversion centre and additionally links the complex cations and anions. In the crystal, the various units are linked by N—HO and O—HO hydrogen bonds, which together with C—HO hydrogen bonds form a three-dimensional structure. The contribution of a region of disordered electron density, possibly highly disordered solvent water molecules, to the scattering was removed with the SQUEEZE option of PLATON [Spek (2009). Acta Cryst. D65, 148–155]. To equilibrate the charges five H+ ions have been added to the polyoxidometalate. These H+ ions and the disordered solvent contribution were not included in the reported molecular weight and density.
O and O—HO hydrogen bonds, which together with C—HO hydrogen bonds form a three-dimensional structure. The contribution of a region of disordered electron density, possibly highly disordered solvent water molecules, to the scattering was removed with the SQUEEZE option of PLATON [Spek (2009). Acta Cryst. D65, 148–155]. To equilibrate the charges five H+ ions have been added to the polyoxidometalate. These H+ ions and the disordered solvent contribution were not included in the reported molecular weight and density.organic compoundsOpen access
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In the pregnene fragment of the title compound, C27H38ClN, the three six-membered rings exhibit chair conformations and the five-membered ring has a distorted envelope form with the fused C atom not bearing a methyl group as the flap atom. The amino group is involved in the formation of an intramolecular N—HCl hydrogen bond. The crystal packing exhibits no short intermolecular contacts.
Cl hydrogen bond. The crystal packing exhibits no short intermolecular contacts.organic compoundsOpen access
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In the title compound, C18H14N2O4, the piperazine ring adopts a chair conformation and the dihedral angle between the aromatic rings is 13.09 (9)°. In the crystal, molecules are linked along the c axis by C—Hπ and Nπ [H(N)–centroid distances = 2.8030 (2) and 3.376 (2) Å] interactions between neighbouring molecules.
π and Nπ [H(N)–centroid distances = 2.8030 (2) and 3.376 (2) Å] interactions between neighbouring molecules.
