Shan Shang, Huang Yan-Lan, Guo Han-Qi, Li Deng-Feng, Sun Jian
College of Chemical Engineering and Materials Science, Zhejiang University of Technology, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2105. doi: 10.1107/S1600536811028480. Epub 2011 Jul 23.
The title compound, C(14)H(14)N(4)S(2), was obtained from a condensation reaction of benzyl dithio-carbazate and acetyl-pyrazine. The asymmetric unit contains two independent mol-ecules, in each of which the pyrazine ring and dithio-carbazate unit are approximately co-planar, the r.m.s. deviations being 0.0304 and 0.0418 Å. The mean plane is oriented with respect to the benzene ring at 49.22 (4)° in one mol-ecule and at 69.76 (7)° in the other. In the crystal, the mol-ecules are linked to each other via inter-molecular N-H⋯S hydrogen bonds, forming centrosymmetric supra-molecular dimers.
标题化合物C(14)H(14)N(4)S(2)是由苄基二硫代氨基脲与乙酰基吡嗪通过缩合反应制得。不对称单元包含两个独立的分子，在每个分子中，吡嗪环和二硫代氨基脲单元大致共面，均方根偏差分别为0.0304 Å和0.0418 Å。一个分子中平均平面相对于苯环的取向角度为49.22 (4)°，另一个分子中为69.76 (7)°。在晶体中，分子通过分子间N-H⋯S氢键相互连接，形成中心对称的超分子二聚体。
