metal-organic compounds
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In the title compound, [ZnCl2(C6H8N2O2S)2], the ZnII ion lies on a twofold rotation axis and has a slightly distorted tetrahedral coordination geometry, involving two Cl atoms and two N atoms from the amino groups attached directly to the benzene rings [Zn—Cl = 2.2288 (16) Å and Zn—N = 2.060 (5) Å]. The dihedral angle between the benzene rings is 67.1 (3)°. The crystal packing can be describe as layers in a zigzag arrangement parallel to (001). The amine H atoms act as donor atoms and participate in intermolecular N—HO and N—HCl hydrogen bonds, forming a three-dimensional network.
organic compounds
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The asymmetric unit of the title compound, C14H10N2O2, contains two independent molecules. In each molecule, the benzodioxole ring system displays an envelope conformation, with the methylene C atom located at the flap deviating by 0.081 (2) and 0.230 (2) Å from the mean plane formed by the other atoms. The dihedral angles between the benzoimidazole ring system (all atoms) and the benzodioxole benzene ring are 15.35 (6) and 10.99 (7)°. In the crystal, molecules are linked by N—HN hydrogen bonds into chains running along the [101].
metal-organic compounds
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The title molecule, [Cu(C12H8N2)2(H2O)](NO3)2, is a new polymorph of a compound which up to now has been reported to crystallize space groups in C2/c and Cc. The crystal studied was twinned by non-merohedry (final BASF factor of 0.40043) with the structure being solved and refined in P-1. The CuII atom is coordinated by four N atoms from two 1,10-phenanthroline ligands and an O atom from a water molecule in an approximate trigonal–bipyramidal geometry. Discrete entities of one cation and two nitrate anions are formed by water–nitrate O—HO hydrogen bonds. The components are further assembled into a three-dimensional network by C—HO hydrogen bonds.
metal-organic compounds
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In the title hydrated salt, [NiCl(C10H8N2)2](NO3)·3H2O, the Ni2+ ion is coordinated by two 2,2′-bipyridyl (2,2′-bpy) ligands and a chloride ion in a trigonal–bipyramidal geometry. The chloride ion occupies an equatorial site and the dihedral angle between the 2,2′-bpy ring systems is 72.02 (6)°. In the crystal, the components are linked by C—HO and O—HO hydrogen bonds and aromatic π–π stacking interactions [shortest centroid–centroid separation = 3.635 (2) Å], generating a three-dimensional network.
metal-organic compounds
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The title compound, (C24H20P)2[CoCl4], was prepared under hydrothermal conditions. In the crystal, the tetraphenylphosphonium cations are linked by pairs of weak C—Hπ interactions into supramolecular dimers; the CoII cations lie on twofold rotation axes and the tetrahedral [CoCl4]2− anions are linked with the tetraphenylphosphonium cations via weak C—HCl hydrogen bonds.
organic compounds
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In the title molecule, C14H17NO, the 5,5-dimethylcyclohex-2-enone moiety is attached to an aniline group, the dihedral angle subtended [54.43 (3)°] indicating a significant twist. The hexaneone ring has a half-chair conformation with the C atom bearing two methyl groups lying 0.6384 (8) Å above the plane of the five remaining atoms (r.m.s. deviation = 0.0107 Å). The crystal packing can be described as alternating layers parallel to (-101), which are consolidated by N—HO hydrogen bonds and C—Hπ interactions.
metal-organic compounds
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In the title coordination polymer, [MnCl2(C7H5NS)2]n, the MnII ion is located on the intersection of a twofold rotation axis and a mirror plane and adopts an octahedral coordination geometry defined by two mutually trans N atoms from benzothiazole ligands which occupy the axial positions, and four Cl atoms which form the equatorial sites. The MnII ions are connected by two bridging Cl atoms, forming chains parallel to the c axis. The crystal packing can be descibed as alternating layers parallel to (001) featuring π–π stacking interactions with a centroid–centroid distance of 3.6029 (15) Å.
Keywords: crystal structure.
organic compounds
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In the title aromatic Schiff base compound, C15H15ClN2O, the molecule exists in a trans conformation with respect to the C=N bond. The dihedral angle between the benzene rings is 14.49 (6)°. In the crystal, weak C—Hπ interactions link molecules into supramolecular chains propagated along the a-axis direction.
organic compounds
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The title compound, C21H18N2O4, crystallizes with two independent molecules (A and B) in the asymmetric unit. In both molecules the oxazine ring has an envelope conformation with the hydroxyl-substituted C atom as the flap. The nitrobenzyl ring and the phenyl ring are almost normal to the mean plane of the benzooxazine ring system with dihdral angles of 85.72 (15) and 82.69 (15)°, respectively, in molecule A, and 85.79 (15) and 87.72 (15)°, respectively, in molecule B. The main difference in the conformation of the two molecules concerns the dihedral angle between the nitrobenzyl ring and the phenyl ring, viz. 79.67 (18) in molecule A and 71.13 (18)° in molecule B. In the crystal, the A and B molecules are linked by an O—HO hydrogen bond. These units are then linked via C—HO hydrogen bonds, forming sheets lying parallel to (010). Further C—HO hydrogen bonds link the sheets to form a three-dimensional network. There are also O—Hπ and C—Hπ interactions present, reinforcing the three-dimensional structure.
Keywords: crystal structure.
data reports
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In the title Schiff base compound, C21H19NO3, the conformation about the C=C bond is Z. The N—H group and carbonyl O atom form an intramolecular N—HO hydrogen bond with an S(6) ring motif. The benzyloxy ring and the 2-hydroxy-5-methylphenyl ring are inclined to the central six-membered ring by 13.68 (9) and 9.13 (8)°, respectively, and to one another by 21.95 (9)°. In the crystal, molecules are linked by O—HO hydrogen bonds, forming helical chains along [010].
data reports
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In the title molecule, C13H13N3O2, the planes of the benzene and imidazole rings form a dihedral angle of 7.72 (5)°. In the crystal, molecules are linked by weak C—HN and C—HO hydrogen bonds, forming layers parallel to (100). A weak C—Hπ interaction connects these layers into a three-dimensional network. A π–π stacking interaction, with a centroid–centroid distance of 3.5373 (9) Å, is also observed.
data reports
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In the asymmetric unit of the title compound, C13H13N3O3, the 2-(2-methoxphenyl)ethenyl unit is connected to the methyl-nitroimidazole 1-methyl-4-nitro-1H-imidazole moiety. The molecule is quasi-planar and the planes of the two rings form a dihedral angle of 0.92 (11)°. The crystal packing can be described as layers parallel to the (011) plane, stabilized by intermolecular C—HO hydrogen bonding, resulting in the formation of an infinite three-dimensional network linking these layers. Strong π–π stacking interactions are observed, viz. benzene–benzene, imidazole–imidazole and benzene–imidazole rings, with centroid–centroid distances of 3.528 (2), 3.457 (2) and 3.544 (2) Å, respectively. Intensity statistics indicated twinning by non-merohedry, with refined weighs of the twin components of 0.3687:0.6313.
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In the structure of the title molecular salt, C10H18N22+·2NO3−, the dinitrate salt of 4-(N,N-diethylamino)aniline, the two ethyl groups lie almost perpendicular to the plane of the benzene ring [the ring-to-ethyl C—C—N—C torsion angles are −59.5 (2) and 67.5 (3)°]. The aminium groups of the cation form inter-species N—HO hydrogen bonds with the nitro O-atom acceptors of both anions, giving rise to chain substructures lying along c. The chains are linked via further N—HO hydrogen bonds, forming two-dimensional networks lying parallel to (010). These sheets are linked by C—HO hydrogen bonds, forming a three-dimensional structure.
data reports
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In the title compound, C20H17NO3, the methylidenecyclohexa-2,4-dienone moiety is approximately planar [maximum deviation = 0.0615 (10) Å] and is oriented at diherdral angles of 69.60 (7) and 1.69 (9)° to the phenyl and hydroxybenzene rings, respectively. The amino group links with the carbonyl O atom via an intramolecular N—HO hydrogen bond, forming an S(6) ring motif. In the crystal, the molecules are linked by O—HO hydrogen bonds and weak C—HO and C—Hπ interactions, forming a three-dimensional supramolecular architecture.