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

• Main Authors: Mourad Fawzi, Aziz Auhmani, Moulay Youssef Ait Itto, Abdelkhalek Riahi, Sylviane Chevreux, El Mostafa Ketatni
• Format: Article
• Language: English
• Published: International Union of Crystallography 2017-04-01
• Series: IUCrData
• Subjects: crystal structure; hydrazinecarbothiamide; natural product; hydrogen bond
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2414314617005132

There are two independent molecules (A and B) in the asymmetric unit of the title compound, C11H19N3S. In molecule B, 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)° for A and 11.6 (3)° for B. 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 into R22(8) A + B dimers. These dimers are interconnected by additional N—H...S contacts, forming chains along the c-axis direction. The structure was refined as a two-component inversion twin.