4-氨基-3-(3-甲氧基苄基)-1H-1,2,4-三唑-5(4H)-硫酮
4-Amino-3-(3-meth-oxy-benz-yl)-1H-1,2,4-triazole-5(4H)-thione.
作者信息
Sarojini B K, Manjula P S, Hegde Gurumurthy, Kour Dalbir, Anthal Sumati, Gupta Vivek K, Kant Rajni
机构信息
Department of Chemistry, P A College of Engineering, Nadupadavu 574 153, D.K. Mangalore, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 13;69(Pt 5):o728. doi: 10.1107/S1600536813009859. Print 2013 May 1.
In the title mol-ecule, C10H12N4SO, the triazole ring forms a dihedral angle of 73.0 (5)° with the benzene ring. The meth-oxy group is approximtely coplanar with the benzene ring with a C C-O-Cmeth-yl torsion angle of 4.7 (3)°. In the crystal, N-H⋯S hydrogen bonds connect pairs of inversion-related mol-ecules, which are in turn connected by N-H⋯N hydrogen bonds into chains of rings along [010]. Weak C-H⋯O hydrogen bonds connect these chains into a two-dimensional network parallel to (-102).
在标题分子C₁₀H₁₂N₄SO中，三唑环与苯环形成73.0 (5)°的二面角。甲氧基与苯环近似共面，C—C—O—C甲基扭转角为4.7 (3)°。在晶体中，N—H⋯S氢键连接成对的反演相关分子，这些分子又通过N—H⋯N氢键沿[010]方向连接成环链。弱C—H⋯O氢键将这些链连接成平行于(-102)的二维网络。
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