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1-{2-[(2-甲氧基苯基)硒基]苯基}-4-苯基-1H-1,2,3-三唑的晶体结构

Crystal structure of 1-{2-[(2-meth-oxy-phen-yl)selan-yl]phen-yl}-4-phenyl-1H-1,2,3-triazole.

作者信息

Camargo Leandro R S, Zukerman-Schpector Julio, Deobald Anna M, Braga Antonio L, Tiekink Edward R T

机构信息

Departmento de Química, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil.

Departmento de Química, Universidade Federal de Santa Maria, 97105-900 Santa Maria, RS, Brazil.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Feb 25;71(Pt 3):o202-3. doi: 10.1107/S2056989015003230. eCollection 2015 Mar 1.

Abstract

In the title compound, C21H17N3OSe, the dihedral angles between the central five-membered ring and the C- and N-bound rings are 17.89 (10) and 42.35 (10)°, respectively, indicating the mol-ecule is twisted. The dihedral angle between the Se-bound rings is 85.36 (10)°. A close intra-molecular Se⋯O contact of 2.8507 (13) Å is noted. In the crystal, C-H⋯O, C-H⋯N and C-H⋯π inter-actions lead to the formation of supra-molecular layers parallel to (011); these stack with no specific inter-molecular inter-actions between them.

摘要

在标题化合物C₂₁H₁₇N₃OSe中,中心五元环与C键合环和N键合环之间的二面角分别为17.89 (10)°和42.35 (10)°,表明分子呈扭曲状。Se键合环之间的二面角为85.36 (10)°。注意到分子内存在2.8507 (13) Å的紧密Se⋯O接触。在晶体中,C-H⋯O、C-H⋯N和C-H⋯π相互作用导致形成平行于(011)的超分子层;这些超分子层堆积在一起,它们之间没有特定的分子间相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cf8a/4350762/b6d9774554b1/e-71-0o202-fig1.jpg

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