1-苄基-1H-苯并三唑
1-Benzyl-1H-benzotriazole.
作者信息
Selvarathy Grace P, Jebas Samuel Robinson, Ravindran Durai Nayagam B, Schollmeyer Dieter
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1132. doi: 10.1107/S1600536812010951. Epub 2012 Mar 21.
In the title compound, C(13)H(11)N(3), the benzotriazole ring system is essentially planar, with a maximum deviation of 0.0173 (18) Å, and forms a dihedral angle of 75.08 (8)Å with the phenyl ring. In the crystal, pairs of weak C-H⋯N hydrogen bonds form inversion dimers. In addition, there are weak C-H⋯π(arene) inter-actions and weak π-π stacking inter-actions, with a centroid-centroid distance of 3.673 (11) Å.
在标题化合物C₁₃H₁₁N₃中，苯并三唑环系基本呈平面状，最大偏差为0.0173 (18) Å，并与苯环形成75.08 (8)°的二面角。在晶体中，成对的弱C-H⋯N氢键形成了反演二聚体。此外，还存在弱C-H⋯π(芳烃)相互作用和弱π-π堆积相互作用，质心间距为3.673 (11) Å。
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