He Dan-Feng, Deng Jin-Jun, Zhou Fu-Jiang, Liu Hong-Sheng, Wang Li-Min
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3063. doi: 10.1107/S1600536811043182. Epub 2011 Oct 29.
The title mol-ecule, C(12)H(14)N(8)S(2), has point symmetry [Formula: see text] since it is situated on a crystallographic centre of symmetry. The 1-meth-yl/5-thio groups are in an anti-periplanar conformation. The dihedral angle between the benzene and tetra-zole rings is 84.33 (2)°. In the crystal, C-H⋯N hydrogen bonds link mol-ecules into ladder-like chains running along the b axis. There are also C-H⋯π inter-actions present in the crystal structure.
标题分子C(12)H(14)N(8)S(2)具有点对称性[化学式:见原文],因为它位于晶体学对称中心上。1-甲基/5-硫基处于反式共平面构象。苯环和四唑环之间的二面角为84.33 (2)°。在晶体中,C-H⋯N氢键将分子连接成沿b轴延伸的梯状链。晶体结构中还存在C-H⋯π相互作用。