Date Published: July 01, 2011
Publisher: International Union of Crystallography
Author(s): Chun-Rong Li, Tao Chen, Zheng-Qiang Xia.
The title compound, C6H10N8S2, was prepared by the nucleophilic substitution reaction of 5-mercapto-1-methyltetrazole and dichloroethane. In the crystal, the molecule possesses an approximate non-crystallographic twofold symmetry axis. The crystal packing is stabilized by weak intermolecular C—H⋯N and π–π interactions [centroid–centroid distances = 3.448 (6), 3.5085 (5) and 3.4591 (2) Å]. The two five-membered rings form a dihedral angle of 1.9 (2)°.
For the synthesis and structures of closely related compounds, see: She et al. (2006 ▶); Wei et al. (2011 ▶). For the pharmacological activity of tetrazole-containing compounds, see: Gilchrist (1992 ▶); Armour et al. (1996 ▶); Upadhayaya et al. (2004 ▶). For applications of tetrazole derivatives in coordination chemistry and as energetic materials, see: Zhao et al. (2008 ▶); Wang et al. (2009 ▶).