3-苯甲酰胺基甲基-4-[(E)-2-氯亚苄基氨基]-1H-1,2,4-三唑-5(4H)-硫酮
3-Benzamidomethyl-4-[(E)-2-chloro-benzyl-ideneamino]-1H-1,2,4-triazole-5(4H)-thione.
作者信息
Fun Hoong-Kun, Jebas Samuel Robinson, Rao Jyothi N, Kalluraya B
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 10;65(Pt 1):o48. doi: 10.1107/S1600536808040361.
In the title compound, C(17)H(14)ClN(5)OS, the dihedral angles formed by the two benzene rings with the triazole ring are 66.88 (3) and 19.16 (3)°, and the benzene rings are inclined to each other with a dihedral angle of 78.40 (3)°. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the (100) planes, and centrosymmetric π-π stacking inter-actions [centroid-centroid distance = 3.7717 (5) Å] are formed between benzene rings in neighbouring layers.
在标题化合物C₁₇H₁₄ClN₅OS中，两个苯环与三唑环形成的二面角分别为66.88 (3)°和19.16 (3)°，且两个苯环相互倾斜，二面角为78.40 (3)°。分子间的N-H⋯O氢键将分子连接成平行于(100)平面的层，相邻层的苯环之间形成中心对称的π-π堆积相互作用[质心-质心距离 = 3.7717 (5) Å]。
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