噻吩并[3,4-d][1,3]二硫醇-2-硫酮
Thieno[3,4-d][1,3]dithiole-2-thione.
作者信息
Wen Hua-Wen, Fang Qi
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3097. doi: 10.1107/S1600536811044084. Epub 2011 Oct 29.
In the title compound, C(5)H(2)S(4), the terminal monocyclic S atom deviates by 0.117 (1) Å from the mean plane of the other non-H atoms (r.m.s. deviation = 0.001 Å). All six C-S bonds and the central C-C bond in the rings are characterized by π-conjugated lengths, endowing the mol-ecule with high π-conjugation. In the crystal, the mol-ecules are parallel packed, forming columnar stacks along the a axis. Short inter-molecular S⋯S contacts [3.397 (1) and 3.486 (1) Å], are observed.
在标题化合物C₅H₂S₄中，末端单环硫原子偏离其他非氢原子的平均平面0.117 (1) Å（均方根偏差 = 0.001 Å）。环中的所有六个C-S键和中心C-C键都具有π共轭长度，赋予分子高π共轭性。在晶体中，分子平行堆积，沿a轴形成柱状堆积。观察到短的分子间S⋯S接触[3.397 (1) 和3.486 (1) Å]。
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