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.
data reports
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In the title compound, [Cu2(C11H13N3O3S)2(C2H6OS)2], the CuII cation is N,N′,O-chelated by a deprotonated hydroxyimino-tosylhydrazone ligand and coordinated by a dimethyl sulfoxide molecule. One O atom from the adjacent hydroxyimino-tosylhydrazone ligand bridges the CuII cation, forming the centrosymmetric dimeric complex. The cation is in an overall distorted N2O3 square-pyramidal coordination environment. The methylbenzene ring is twisted with respect to the hydrazine fragment, with a dihedral angle of 89.54 (9)° between the planes. An intramolecular C—HO hydrogen bond occurs. In the crystal, molecules are linked by weak C—HO and C—HS interactions. Weak π–π stacking is also observed between parallel benzene rings of adjacent molecules, the centroid–centroid distance being 3.9592 (17) Å.
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.
data reports
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The title compound, C11H21N3S, consists of a menthone moiety attached to an extended thiosemicarbazone group with the N—N—C—N torsion angle being 11.92 (16)°. The cyclohexane ring has a chair conformation and the conformation about the C=N bond is E. In the crystal, molecules are linked via pairs of N—HS hydrogen bonds, forming chains along the a axis. The absolute structure could be assigned with reference to the starting material, i.e. enantiopure (−)-menthone [Flack parameter = 0.05 (5)].
data reports
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The reaction of 2-(1,2,3,4-tetrahydronapthalen-1-ylidene)hydrazinecarbothioamide (TTSC) with pyrazine-2,3,5,6-tetracarbonitrile (tetracyanopyrazine, TCNP) yields the title 2:1 charge-transfer adduct, 2C11H12N3S·C6N8. The complete TCNP molecule is generated by a crystallographic inversion centre and the non-aromatic ring in the TTSC molecule adopts an envelope conformation with a methylene C atom as the flap. In the crystal, the thiosemicarbazone molecules are connected through inversion-related pairs of N—HS interactions, building a polymeric chain along the b-axis direction. The TCNP molecules are embedded in the structure, forming TTSC–TCNP–TTSC stacks with the aromatic rings of TTSC and the molecular plane of TCNP in a parallel arrangement [centroid–centroid distance = 3.5558 (14) Å]. Charge-transfer (CT) via π-stacking is indicated by a CT band around 550 cm−1 in the single-crystal absorption spectrum.