Suppr超能文献

双{3-氨基-1-氨基甲酰硫基-5-[(2-{[(5-甲基-1H-咪唑-3-鎓-4-基)甲基]硫烷基}乙基)氨基]-1H-1,2,4-三唑-4-鎓}六氯合铋(III)酸硝酸盐二水合物

Bis{3-amino-1-carbamo-thioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)meth-yl]sulfan-yl}eth-yl)amino]-1H-1,2,4-triazol-4-ium} hexa-chloridobismuthate(III) nitrate dihydrate.

作者信息

Hossain G M Golzar

机构信息

Department of Chemistry, University of Dhaka, Dhaka 1000, Bangladesh.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 19;69(Pt 7):m402-3. doi: 10.1107/S1600536813016449. eCollection 2013.

Abstract

The asymmetric unit of the title hydrated salt, (C10H18N8S2)2[BiCl6]NO3·2H2O, contains two independent 3-amino-1-carbamo-thioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)meth-yl]sulfan-yl}eth-yl)amino]-1H-1,2,4-triazol-4-ium cations, one hexa-chloridobismuthate anion, one nitrate anion and two solvent water mol-ecules. The dihedral angles between the imidazole and triazole rings in the cations are 44.7 (3) and 89.4 (3)°. The Bi(III) ion is coordinated by six chloride ligands in a slightly distorted octa-hedral geometry. In each cation, an intra-molecular N-H⋯S hydrogen bond is observed. In the crystal, N-H⋯Cl, N-H⋯S, N-H⋯O, O-H⋯Cl, O-H⋯S and O-H⋯O hydrogen bonds connect the components into a three-dimensional network. In addtion, π-π stacking inter-actions between inversion-related triazole rings are observed, with a centroid-centroid distance of 3.322 (3) Å

摘要

标题水合盐(C10H18N8S2)2[BiCl6]NO3·2H2O的不对称单元包含两个独立的3-氨基-1-氨基甲酰硫基-5-[(2-{[(5-甲基-1H-咪唑-3-鎓-4-基)甲基]硫烷基}乙基)氨基]-1H-1,2,4-三唑-4-鎓阳离子、一个六氯合铋酸根阴离子、一个硝酸根阴离子和两个溶剂水分子。阳离子中咪唑环和三唑环之间的二面角分别为44.7 (3)°和89.4 (3)°。Bi(III)离子由六个氯配体以略微扭曲的八面体几何构型配位。在每个阳离子中,观察到分子内N-H⋯S氢键。在晶体中,N-H⋯Cl、N-H⋯S、N-H⋯O、O-H⋯Cl、O-H⋯S和O-H⋯O氢键将各组分连接成三维网络。此外,观察到与反演相关的三唑环之间的π-π堆积相互作用,质心间距为3.322 (3) Å

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9a3d/3772431/76d2dc16a8d5/e-69-0m402-fig1.jpg

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验