organic compounds
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In the title compound, C18H18Cl2N2, the complete molecule is generated by the application of C2 symmetry. The C=N bond has an E configuration. The dihedral angle between the benzene ring and the 1,4-diazabutadiene plane is 66.81 (9)°.
organic compounds
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In the title chalcone derivative, C20H22O6, the dihedral angle between the mean planes of the benzene rings is 15.77 (6)°. The H atoms of the central C=C double bond are in a trans configuration. There are a number of C—HO interactions and a C—Hπ interaction present in the crystal structure.
organic compounds
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The title compound, C40H32N2, has crystallographic twofold rotation symmetry, with two C atoms lying on the axis. The dihedral angle between the two benzene rings of the 4-phenyl-2,6-dimethylphenyl group is 35.74 (17)°. The acenaphthene ring makes an angle of 76.93 (11)° with the benzene ring bonded to the N atom and an angle of 41.53 (13)° with the other benzene ring.
metal-organic compounds
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The mononuclear title complex, [Ti(C2H6N)2(C12H11N2)2], was synthesized by the reaction of 1-phenyl-N-[(pyrrol-2-yl)methylidene]methanamine with Ti(NMe2)4. The TiIV atom is coordinated in a distorted octahedral geometry by four N atoms from two derivatized methanamine ligands and two N atoms from two dimethylamide ions. The dihedral angles between the pyrrole and phenyl rings in the bidentate ligands are 62.36 (9) and 78.32 (8)°. In the crystal, a weak π–π stacking interaction [centroid–centroid distance = 3.864 (2) Å] involving centrosymmetrically related molecules is observed.
metal-organic compounds
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In the binuclear title compound, [Cu2(C8H4O4)Cl(C10H8N2)2(H2O)3]NO3·H2O, the two crystallographically independent CuII ions have similar coordination environments. One of the CuII ions has a square-pyramidal arrangement, which is defined by a water molecule occupying the apical position, with the equatorial ligators consisting of two N atoms from a 2,2′-bipyridine molecule, one carboxylate O atom from a terephthalate ligand and one O atom from a water molecule. The other CuII ion has a similar coordination environment, except that the apical position is occupied by a chloride ligand instead of a water molecule. An O—HO and O—HCl hydrogen-bonded three-dimensional network is formed between the components.
organic compounds
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In the crystal of the title compound, C10H11NO4, the hydroxy group forms an O—HOcarbonyl hydrogen bond with an adjacent molecule, so forming chains which extend along (010). Further weak C—HO hydrogen-bonding associations give an infinite three-dimensional network structure.
organic compounds
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The asymmetric unit of the title compound, C6H7NO3, contains two molecules (A and B) related by a non-crystallographic twofold pseudo-axis. The molecules are joined in the (AABB)n manner by O—HO hydrogen bonds between their hydroxy groups, thus forming C(2) chains along the a-axis direction. Neighboring molecules of the same kind (A and A, or B and B) are related by inversion centers, so that all hydroxy H atoms are disordered other two sets of sites with half occupancies (superimposed O—HO and OH—O fragments). The molecules are further linked by C—HO interactions, which can be considered to be weak hydrogen bonds.
metal-organic compounds
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In the title compound, {[Cd(C9H5BrO4)(C10H8N2)(H2O)]·H2O}n, the CdII atom has a distorted octahedral coordination geometry. Two N atoms from two 4,4′-bipyridine (bipy) ligands occupy the axial positions, while the equatorial positions are furnished by three carboxylate O atoms from three 3-bromo-2-(carboxylatomethyl)benzoate (bcb) ligands and one O atom from a water molecule. The bipy and bcb ligands link the CdII atoms into a three-dimensional network. O—HO hydrogen bonds and π–π interactions between the pyridine and benzene rings [centroid–centroid distance = 3.736 (4) Å] are present in the crystal.
metal-organic compounds
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In the title coordination polymer, [PbBr(C6H5N2O2)(H2O)]n, the PbII atom is coordinated by one pyrazine N atom, two bridging Br atoms, a water molecule and three carboxylate O atoms. Bridging by the two anions generates a layer structure parallel to (001); the layers are linked by O—HN and O—HBr hydrogen bonds, forming a three-dimensional network. The lone pair is stereochemically active, resulting in a Ψ-dodecahedral coordination environment for PbII.
organic compounds
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In the title molecule, C20H22F3N3OS, the piperazine ring has a chair conformation, and the N—C(=O)—C—N torsion angle is −59.42 (14)°. In the crystal, weak C—HO and C—Hπ interactions link the molecules into layers parallel to (101).
organic compounds
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The asymmetric unit of the title compound, C18H18N2O2, consists of two independent molecules, each of which is located about a center of inversion. The molecules are not planar, showing dihedral angles of 55.84 (9) and 54.10 (8)° between the piperazinedione and the aromatic rings. The piperazine N atoms exhibit a planar configuration. The crystal packing is stabilized by intermolecular C—HO hydrogen bonds.
organic compounds
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There are two independent molecules in the asymmetric unit of the title compound, C19H19NO4. The indole unit in each molecule is essentially planar, with mean deviations of 0.017 (1) and 0.013 (1) Å and forms dihedral angles of 50.17 (7) and 26.05 (6)° with the phenyl ring. In the crystal, molecules are linked by weak C–Hπ interactions.
organic compounds
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The asymmetric unit of the title structure, C28H19NO·0.5C3H6O, comprises one 2-(anthracen-9-yl)-10-methoxybenzo[h]quinoline molecule and an acteone molecule with an occupany of 0.5. The solvent molecule is disordered around a centre of symmetry. Its occupancy was determined from NMR data and kept fixed during the refinement. The two conjugated ring systems of the molecule are almost perpendicular to each other; the interplanar angle between the anthracene and quinoline ring systems is 84.9 (2)°.
organic compounds
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In the title compound, C25H17NO4, the indolizine fused naphthaquinone unit is approximately planar [r.m.s deviation = 0.0678 Å] and makes a dihedral angle of 57.82 (5)° with the benzene ring of the methoxybenzene group. The naphthoquinone O atoms deviate, in the same sense, from the mean plane of the fused six-membered rings by 0.2001 (14) and 0.0516 (14) Å. In the crystal there is π–π stacking of inversion-related pairs of molecules [interplanar spacing = 3.514 (2) Å].
organic compounds
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In the title compound, C17H12ClNO2, the naphthoquinone system is essentially planar [maximum deviation = 0.078 (2) Å] and makes a dihedral angle of 52.38 (7)° with the benzene ring. The crystal structure features N—HO interactions.