Suppr超能文献

4-甲基苯磺酸氨基-[(1H-苯并咪唑-2-基)氨基]甲亚胺鎓

Amino-[(1H-benzimidazol-2-yl)amino]-methaniminium 4-methyl-benzene-sulfonate.

作者信息

Mohamed Shaaban K, Akkurt Mehmet, Elremaily Mahmoud A A, Ali Ali M, Albayati Mustafa R

机构信息

Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 18;69(Pt 10):o1543-4. doi: 10.1107/S1600536813024975. eCollection 2013.

Abstract

The asymmetric unit of the title salt, C8H10N5 (+)·C7H7O3S(-), consists of two amino-[(1H-benzimidazol-2-yl)amino]-meth-an-im-inium cations and two 4-methyl-benzene-sulfonate anions. The cations are each stabilized by intra-molecular N-H⋯N hydrogen bonds between the free amino groups and the imine N atoms of the benzimidazole units, forming S(6) ring motifs. In the crystal, cations and anions are linked by N-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular framework. Two strong π-π stacking inter-actions [centroid-centroid distances = 3.4112 (14) and 3.4104 (14) Å] also occur between the centroids of the imidazole rings of like cations.

摘要

标题盐C8H10N5(+)·C7H7O3S(-)的不对称单元由两个氨基-[(1H-苯并咪唑-2-基)氨基]-甲脒阳离子和两个4-甲基苯磺酸盐阴离子组成。阳离子通过游离氨基与苯并咪唑单元的亚胺N原子之间的分子内N-H⋯N氢键各自得以稳定,形成S(6)环模式。在晶体中,阳离子和阴离子通过N-H⋯O和C-H⋯O氢键相连,形成三维超分子框架。类似阳离子的咪唑环质心之间还存在两种强烈的π-π堆积相互作用[质心-质心距离 = 3.4112 (14) 和3.4104 (14) Å]。

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验