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{2 - [(1,3 - 苯并噻唑 - 2 - 基)甲氧基] - 5 - 溴苯基}(苯基)甲酮

{2-[(1,3-Benzo-thia-zol-2-yl)meth-oxy]-5-bromo-phen-yl}(phen-yl)methanone.

作者信息

Venugopala K N, Nayak Susanta K, Odhav B

机构信息

Department of Biotechnology and Food Technology, Durban University of Technology, Durban 4001, South Africa.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 May 31;69(Pt 6):o984. doi: 10.1107/S1600536813014086. Print 2013 Jun 1.

Abstract

In the title compound, C21H14BrNO2S, the dihedral angle between the planes of the benzo-thia-zole and phenyl-methanone groups is 63.4 (2)°. In the crystal, pairs of C-H⋯N hydrogen bonds link the mol-ecules to form inversion dimers, which are further linked by C-H⋯O inter-actions into chains along the c axis. C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.863 (1) Å] further stabilize the mol-ecular assembly.

摘要

在标题化合物C₂₁H₁₄BrNO₂S中,苯并噻唑和苯甲酮基团平面之间的二面角为63.4(2)°。在晶体中,C—H⋯N氢键对将分子连接形成反演二聚体,这些二聚体通过C—H⋯O相互作用进一步沿c轴连接成链。C—H⋯π和π-π相互作用[质心-质心距离 = 3.863(1)Å]进一步稳定了分子组装体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7dea/3685117/5113d0ea3ca8/e-69-0o984-fig1.jpg

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