research communications
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Crystal structure of a NiII–thiosemicarbazone complex showing an unusual cis arrangement of the N,S-donor ligands and anagostic C—HNi interactions.
metal-organic compounds
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In the title compound, [Ni(C15H14N3O2S)2], the NiII atom lies on a center of symmetry. The deprotonated ligands act as N,S-donors, forming five-membered metalla-rings. The NiII atom is four-coordinated in a slightly distorted square-planar environment. In the crystal, the discrete complex molecules are linked by weak N—HO hydrogen bonds, generating chains along [110]. The chains are further connected via weak O—HN interactions into a layered network extending parallel to (001).
organic compounds
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The conformation of the title molecule, C17H17N3S, is stabilized by an intramolecular N—HN hydrogen bond involving the azometinic group. The dihedral angle between the two aromatic rings is 36.49 (06)°. The non-aromatic ring of the tetralone substituent adopts a sofa conformation. In the crystal, molecules are linked by pairs of N—HS hydrogen bonds related via centres of symmetry, forming dimers.
organic compounds
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In the title compound, C15H15N3O2S, the central C—N—N—C unit has an anti conformation [torsion angle = −170.17 (15)°]. The phenyl substituent is oriented perpendicular to this unit [dihedral angle of 89.2 (1)°], whereas the substituted ring is rotated out of this plane by only 18.86 (17)°. In the crystal, molecules are linked by pairs of N—HS hydrogen bonds into inversion dimers that are further connected via N—HO and O—HS hydrogen bonds into a three-dimensional network.
organic compounds
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There are two independent molecules in the asymmetric unit of the title compound, C12H15N3S, both of which display disorder of several C atoms in the N-bound ring (occupancy ratios of 0.75:0.25 in the first independent molecule and 0.50:0.50 in the second) with the methyl H atoms also being disordered in the first molecule (occupancy ratio of 0.70:0.30). The planes of the benzene ring and the N—N—C—N fragment make dihedral angles of 12.92 (14)° in the first independent molecule and 7.60 (13)° in the second. In the crystal, molecules are linked by weak N—HS hydrogen bonds into chains along the a-axis direction. The crystal packing ressembles a herringbone arrangement.
organic compounds
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In the title compound, C14H13ClN4S, obtained from a reaction of 2-benzoyl-4-chloroaniline with thiosemicarbazide in ethanol, the dihedral angle between the aromatic rings is 81.31 (13)°. In the crystal, the molecules are linked by three N—HS hydrogen bonds, forming centrosymmetric rings with set-graph motif R22(8) and R22(18), and resulting in the formation of a two-dimensional network lying parallel to (010).
organic compounds
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In the title compound, C12H15N3S, the molecule deviates slightly from planarity, with a maximum deviation from the mean plane of the non-H atoms of 0.2756 (6) Å for the S atom and a torsion angle for the N—N—C—N fragment of −7.04 (16)°. In the crystal, molecules are linked by N—HS hydrogen-bond interactions, forming centrosymmetric dimers. Additionally, one weak intramolecular N—HN hydrogen-bond interaction is observed. The crystal packing shows a herringbone arrangement viewed along the c axis.
Keywords: crystal structure.
organic compounds
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In the crystal structure of the title compound, C11H15N3O2S, the C—N—N—C and C—N—C—C torsion angles involving the benzene ring and ethyl group are 11.91 (15) and 99.4 (2)°, respectively. An intramolecular N—HN hydrogen bond is observed. In the crystal, molecules are linked via N—HO and N—HS hydrogen bonds into a three-dimensional hydrogen bonded network. Finally, the molecules show a herringbone arrangement when viewed along the a axis.