Mohamed Shaaban K, Elgarhy Sahar M I, Hassan Alaa A, Demirtaş Güneş, Mague Joel T, Ramli Youssef
Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England.
Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
Acta Crystallogr E Crystallogr Commun. 2021 Mar 23;77(Pt 4):420-423. doi: 10.1107/S2056989021002863. eCollection 2021 Apr 1.
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%).
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%)。