2,3-双（3-氟苯基）四唑-5-硫醇盐
2,3-Bis(3-fluoro-phen-yl)tetra-zolium-5-thiol-ate.
作者信息
von Eschwege Karel G, Muller Alfred
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 15;65(Pt 8):o1864. doi: 10.1107/S1600536809026683.
Abstract
The zwitterionic title compound, C(13)H(8)F(2)N(4)S, is situated on a twofold rotation axis running along the C-S [1.691 (2) Å] single bond. The phenyl-ene ring is twisted out of the tetra-zolium plane by 42.18 (7)°. Relatively short distances [3.7572 (9) and 4.0625 (6) Å] between the centroids of the phenyl-ene and tetra-zolium rings of neighbouring mol-ecules suggest π-π inter-actions. The crystal under investigation was a non-merohedral twin, with a 33% twin component.
摘要
两性离子标题化合物C(13)H(8)F(2)N(4)S位于沿C-S [1.691 (2) Å]单键的二重旋转轴上。苯环平面与四唑环平面扭转了42.18 (7)°。相邻分子的苯环和四唑环质心之间相对较短的距离[3.7572 (9)和4.0625 (6) Å]表明存在π-π相互作用。所研究的晶体为非等轴孪晶，孪晶组分占33%。
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