5-Amino-1 H-benzimidazole-2(3 H)-thione: mol-ecular, crystal structure and Hirshfeld surface analysis

5-氨基-1H-苯并咪唑-2(3H)-硫酮:分子、晶体结构和Hirshfeld表面分析

阅读:12
作者:Dilnoza Rakhmonova, Lobar Gapurova, Surayyo Razzoqova, Shakhnoza Kadirova, Batirbay Torambetov, Zukhra Kadirova, Svitlana Shishkina

Abstract

The title compound, C7H7N3S, which has potential biological activity, can be used as a ligand in metal complexation. This compound exists as the thione tautomer in the crystal phase, which is confirmed by the study of its mol-ecular structure. The amino group has pyramidal configuration. In the crystal phase, the two independent mol-ecules in the asymmetric unit form tetra-mers as a result of N-H⋯S hydrogen bonds. These tetra-mers are linked by N-H⋯N hydrogen bonds, forming chains/tubes in the [010] direction. The Hirshfeld surface analysis showed that the highest contribution to the total surface is provided by H⋯H inter-actions as well as S⋯H/H⋯S and C⋯H/H⋯C contacts associated with X-H⋯S hydrogen bonds and X-H⋯C(π) inter-actions.

特别声明

1、本页面内容包含部分的内容是基于公开信息的合理引用;引用内容仅为补充信息,不代表本站立场。

2、若认为本页面引用内容涉及侵权,请及时与本站联系,我们将第一时间处理。

3、其他媒体/个人如需使用本页面原创内容,需注明“来源:[生知库]”并获得授权;使用引用内容的,需自行联系原作者获得许可。

4、投稿及合作请联系:info@biocloudy.com。