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()-1-(3-苄基-5-苯基-1,3-噻唑-2-亚基)-2-[()-1,2,3,4-四氢萘-1-亚基]肼-1-鎓溴化物的晶体结构

Crystal structure of ()-1-(3-benzyl-5-phenyl-1,3-thia-zol-2-yl-idene)-2-[()-1,2,3,4-tetra-hydro-naphthalen-1-yl-idene]hydrazin-1-ium bromide.

作者信息

Mohamed Shaaban K, Elgarhy Sahar M I, Hassan Alaa A, Demirtaş Güneş, Mague Joel T, Ramli Youssef

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 E Crystallogr Commun. 2021 Mar 23;77(Pt 4):420-423. doi: 10.1107/S2056989021002863. eCollection 2021 Apr 1.

Abstract

In the title mol-ecular salt, CHNS·Br, the dihedral angles between the thia-zole ring and its attached phenyl and benzoyl rings are 54.81 (7) and 85.51 (7)°, respectively. In the crystal, ion pairs are linked by C-H⋯Br and N-H⋯Br hydrogen bonds and are connected into helical chains extending along the -axis direction by weak, electrostatic S⋯Br inter-actions. A Hirshfeld surface analysis was performed, which showed the dominant role of H⋯H contacts (51.3%).

摘要

在标题分子盐CHNS·Br中,噻唑环与其相连的苯环和苯甲酰环之间的二面角分别为54.81 (7)°和85.51 (7)°。在晶体中,离子对通过C—H⋯Br和N—H⋯Br氢键相连,并通过弱的静电S⋯Br相互作用连接成沿c轴方向延伸的螺旋链。进行了 Hirshfeld 表面分析,结果表明H⋯H接触占主导作用(51.3%)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8962/8025854/6c58c8c2f971/e-77-00420-fig1.jpg

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