3-甲基-4-{（E）-[4-（甲硫基）亚苄基]氨基}-1H-1,2,4-三唑-5（4H）-硫酮
3-Methyl-4-{(E)-[4-(methyl-sulfan-yl)benzyl-idene]amino}-1H-1,2,4-triazole-5(4H)-thione.
作者信息
Sarojini B K, Manjula P S, Hegde Gurumurthy, Kour Dalbir, Gupta Vivek K, Kant Rajni
机构信息
Department of Chemistry, PA 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):o718-9. doi: 10.1107/S1600536813009690. Print 2013 May 1.
In the title mol-ecule, C11H12N4S2, the dihedral angle between the triazole and benzene rings is 21.31 (5)°. A weak intra-molecular C-H⋯S hydrogen bond generates an S(6) ring motif. In the crystal, pairs of N-H⋯S hydrogen bonds form inversion dimers. In addition, π-π inter-actions are observed between the benzene rings, with a centroid-centroid separation of 3.7599 (11) Å.
在标题分子C₁₁H₁₂N₄S₂中，三唑环与苯环之间的二面角为21.31（5）°。一个弱的分子内C—H⋯S氢键形成一个S（6）环模式。在晶体中，N—H⋯S氢键对形成反演二聚体。此外，在苯环之间观察到π-π相互作用，质心间距离为3.7599（11）Å。
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