Synthesis, mol­ecular structure and Hirshfeld surface analysis of (4-meth­oxy­phen­yl)[2-(methyl­sulfan­yl)thio­phen-3-yl]methanone

Nagaraju S.; Sridhar M.A.; Pradeepa Kumara C.S.; Sadashiva M.P.; Lakshminarayana B.N.; Lokanath N.K.

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Synthesis, molecular structure and Hirshfeld surface analysis of (4-methoxyphenyl)[2-(methylsulfanyl)thiophen-3-yl]methanone

机译：（4-甲氧基苯基）[2-（甲基硫烷基）噻吩-3-基]甲酮的合成，分子结构和Hirshfeld表面分析

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The title compound, C13H12O2S2, crystallizes in the triclinic space group Poverline{1}. The molecular structure is substantially twisted, with a dihedral angle of 43.70 (2)° between the 2-(methylsulfanyl)thiophene and 4-methoxyphenyl rings. In the crystal, molecules are linked through C—H⋯O interactions and form a bifurcated layer stacking along the b-axis direction and enclosing R22(10) ring motifs. The phenyl rings are involved in π–π interactions with a centroid–centroid separation of 3.760 (2) Å. The Hirshfeld surfaces were studied and the contributions of the various intermolecular interactions were quantified.

机译：标题化合物C13H12O2S2在三斜空间群P overline {1}中结晶。分子结构基本上是扭曲的，在2-（甲基硫烷基）噻吩和4-甲氧基苯基环之间的二面角为43.70°（2）°。在晶体中，分子通过C-H = O相互作用连接，并形成沿b轴方向堆叠并包围R22（10）环基序的分叉层。苯环以3.760（2）Å的质心-质心间距参与π-π相互作用。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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《Acta Crystallographica Section E: Crystallographic Communications》 |2018年第12期|共4页
作者
Nagaraju S.; Sridhar M.A.; Pradeepa Kumara C.S.; Sadashiva M.P.; Lakshminarayana B.N.; Lokanath N.K.;
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中图分类晶体学;
关键词
CRYSTAL STRUCTURETHIOPHENEHIRSCHFELD SURFACE;

机译：晶体结构菲涅耳表面;

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Synthesis, mol­ecular structure and Hirshfeld surface analysis of (4-meth­oxy­phen­yl)[2-(methyl­sulfan­yl)thio­phen-3-yl]methanone

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Synthesis, molecular structure and Hirshfeld surface analysis of (4-methoxyphenyl)[2-(methylsulfanyl)thiophen-3-yl]methanone