Nagaraju S, Sridhar M A, Pradeepa Kumara C S, Sadashiva M P, Lakshminarayana B N, Lokanath N K
Department of Studies in Physics, Manasagangothri, University of Mysore, Mysore, Karnataka, India.
Department of Studies in Chemistry, Manasagangotri, University of Mysore, Mysuru, Karnataka, India.
Acta Crystallogr E Crystallogr Commun. 2018 Nov 16;74(Pt 12):1800-1803. doi: 10.1107/S2056989018016043. eCollection 2018 Dec 1.
The title compound, CHOS, crystallizes in the triclinic space group . The mol-ecular structure is substanti-ally twisted, with a dihedral angle of 43.70 (2)° between the 2-(methyl-sulfan-yl)thio-phene and 4-meth-oxy-phenyl rings. In the crystal, mol-ecules are linked through C-H⋯O inter-actions and form a bifurcated layer stacking along the axis direction and enclosing (10) ring motifs. The phenyl rings are involved in π-π inter-actions with a centroid-centroid separation of 3.760 (2) Å. The Hirshfeld surfaces were studied and the contributions of the various inter-molecular inter-actions were qu-anti-fied.
标题化合物CHOS以三斜空间群结晶。分子结构严重扭曲，2-(甲硫基)噻吩环与4-甲氧基苯环之间的二面角为43.70 (2)°。在晶体中，分子通过C-H⋯O相互作用连接，沿轴方向形成分叉层堆积，并包含(10)环基序。苯环参与π-π相互作用，质心间距为3.760 (2) Å。研究了Hirshfeld表面并量化了各种分子间相互作用的贡献。
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