(2E)-N-Methyl-2-[1-(4-methylcyclohex-3-en-1-yl)ethylidene]hydrazinecarbothioamide

Abstract

There are two independent molecules (AandB) in the asymmetric unit of the title compound, C11H19N3S. In moleculeB, two C atoms and the associated H atoms of the cyclohexene ring are disordered over two sets of sites with a site occupancy ratio of 0.649 (7):0.351 (7). The N—N—C—N fragments of the hydrazinecarbothioamide segments of both molecules are not planar, with a torsion angle of −5.8 (3)° forAand 11.6 (3)° forB. The stability of the conformations of both molecules is aided by the formation of intramolecular N—H...N hydrogen bonds. In the crystal, N—H...S hydrogen bonds link like molecules intoR22(8)A+Bdimers. These dimers are interconnected by additional N—H...S contacts, forming chains along thec-axis direction. The structure was refined as a two-component inversion twin.

Novel Hydrazono‐2‐Iminothiazolidin‐4‐Ones Based on a Monoterpenic Skeleton as Potential Antitumor Agents: Synthesis, DFT Studies, in Vitro Cytotoxicity, Apoptosis Inducing Properties and Molecular Docking

“…The NÀ CH 3 moiety of 2 and aromatic carbons of 3 appear at 31.02 ppm and 124.14 À 125.77 ppm, respectively. According to the single-crystal X-ray diffraction of compound 2, [24] it should be pointed out here that thiosemicarbazones 1-3 adopt the E-conformation concerning the imine bond, also the C=S and C=N bonds lengths prove that in the solid state, thiosemicarbazones remain in the form of thione.…”