Wujec Monika, Mazur Liliana, Rzączyńska Zofia
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 10;65(Pt 2):o274. doi: 10.1107/S1600536809000440.
The title compound, C(9)H(11)N(3)S(2), exists in the thione form in the crystal structure. The central triazole ring is almost perpendicular to the thio-phene ring which is disordered over two orientations [dihedral angles of 88.5 (7) and 85.7 (8)° for the two orientations]. The crystal structure is stabilized by strong inter-molecular N-H⋯S hydrogen bonds, forming centrosymmetric dimers, and by some weak C-H⋯S inter-actions.
标题化合物C(9)H(11)N(3)S(2)在晶体结构中以硫酮形式存在。中心三唑环几乎垂直于噻吩环,噻吩环在两个取向之间无序 [两个取向的二面角分别为88.5 (7)°和85.7 (8)°]。晶体结构通过强分子间N-H⋯S氢键(形成中心对称二聚体)以及一些弱C-H⋯S相互作用得以稳定。