苯基2,4,5-三氯苯磺酸盐的晶体结构。
Crystal structure of phenyl 2,4,5-tri-chloro-benzene-sulfonate.
作者信息
Riley Sean, Staples Richard J, Biros Shannon M, Ngassa Felix N
机构信息
Department of Chemistry, Grand Valley State University, 1 Campus Dr., Allendale, MI 49401, USA.
Center for Crystallographic Research, Department of Chemistry, Michigan State University, 578 S. Shaw Lane, East Lansing, MI, 48824, USA.
出版信息
Acta Crystallogr E Crystallogr Commun. 2016 May 6;72(Pt 6):789-92. doi: 10.1107/S2056989016007325. eCollection 2016 Jun 1.
The title compound, C12H7Cl3O3S, was synthesized via a nucleophilic substitution reaction between phenol and 2,4,5-tri-chloro-benzene-sulfonyl chloride. The two aryl rings are oriented gauche to one another around the sulfonate S-O bond, with a C-S-O-C torsion angle of -70.68 (16)°, and the two rings are inclined to one another by 72.40 (7)°. In the crystal, mol-ecules are linked via various C-Cl⋯π inter-actions, forming ribbons propagating along [100]. Neighboring ribbons are linked by a weak C-Cl⋯π inter-action, forming layers parallel to (010).
标题化合物C₁₂H₇Cl₃O₃S是通过苯酚与2,4,5-三氯苯磺酰氯之间的亲核取代反应合成的。两个芳环围绕磺酸酯的S-O键彼此呈邻位交叉取向，C-S-O-C扭转角为-70.68 (16)°，且两个环彼此倾斜72.40 (7)°。在晶体中，分子通过各种C-Cl⋯π相互作用连接，形成沿[100]方向延伸的带状结构。相邻的带状结构通过弱C-Cl⋯π相互作用连接，形成平行于(010)的层。
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