4-[(E)-(4-氯-亚苄基)氨基]-3-(2-甲基-苄基)-1H-1,2,4-三唑-5(4H)-硫酮的晶体结构
Crystal structure of 4-[(E)-(4-chloro-benzyl-idene)amino]-3-(2-methyl-benz-yl)-1H-1,2,4-triazole-5(4H)-thione.
作者信息
Sarojini B K, Manjula P S, Narayana B, Anthal Sumati, Kant Rajni
机构信息
School of Physics, Shri Mata Vaishno Devi University, Katra 182 320, J&K, India.
Department of Chemistry, Mangalore University, Mangalagangotri 574 199, D.K., Mangalore, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Aug 16;70(Pt 9):o1015-6. doi: 10.1107/S1600536814018352. eCollection 2014 Sep 1.
In the title mol-ecule, C17H15ClN4S, the benzene rings form dihedral angles of 16.6 (1) and 77.2 (1)° with the triazole ring. The dihedral angle between the benzene rings is 86.6 (1)°. In the crystal, pairs of N-H⋯S hydrogen bonds form inversion dimers with graph-set notation R 2 (2)(8). Weak C-H⋯S hydrogen bonds link these dimers into layers parallel to (100). Weak intra-molecular C-H⋯S and C-H⋯N contacts are observed.
在标题分子C₁₇H₁₅ClN₄S中，苯环与三唑环形成的二面角分别为16.6 (1)°和77.2 (1)°。苯环之间的二面角为86.6 (1)°。在晶体中，N-H⋯S氢键对形成了具有R 2 (2)(8)图形集符号的反演二聚体。弱C-H⋯S氢键将这些二聚体连接成平行于(100)的层。观察到弱分子内C-H⋯S和C-H⋯N接触。
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