journal menu
organic compounds
Open 
access
access
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—H
S 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.
S 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 compoundsOpen access
access
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.
N 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 reportsOpen access
access
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)].
S 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 reportsOpen access
access
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.
S 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.
