3-{[5-(4-氯苯基)-3-甲基-1H-吡唑-1-基]甲基}-4-间甲苯基-1H-1,2,4-三唑-5(4H)-硫酮
3-{[5-(4-Chloro-phen-yl)-3-methyl-1H-pyrazol-1-yl]meth-yl}-4-m-tolyl-1H-1,2,4-triazole-5(4H)-thione.
作者信息
Farrukh Muhammad A, Ahmed Maqsood, Mohamed Shaaban K, Marzouk Adel A, El-Moghazy Samir M
机构信息
Department of Chemistry, Government College University, Lahore 54000, Pakistan.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 May 22;69(Pt 6):o936-7. doi: 10.1107/S1600536813013494. Print 2013 Jun 1.
In the title compound, C20H18ClN5S, the toluene and triazole rings are oriented almost perpendicular to each other, making a dihedral angle of 89.97 (9)°, whereas the dihedral angle between cholorophenyl and pyrazole rings is 54.57 (11)°. In the crystal, pairs of N-H⋯N hydrogen bonds link the mol-ecules into inversion dimers. Weaker C-H⋯S and C-H⋯Cl inter-actions are also present.
在标题化合物C₂₀H₁₈ClN₅S中，甲苯环和三唑环几乎相互垂直，二面角为89.97 (9)°，而氯苯基和吡唑环之间的二面角为54.57 (11)°。在晶体中，N-H⋯N氢键对将分子连接成反演二聚体。还存在较弱的C-H⋯S和C-H⋯Cl相互作用。
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