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

Nagaraju, S. and Sridhar, M. A. and Pradeepa Kumara, C. S. and Sadashiva, M. P. and Lakshminarayana, B. N. and Lokanath, N. K. (2018) Synthesis, mol­ecular structure and Hirshfeld surface analysis of (4-meth­oxy­phen­yl)[2-(methyl­sulfan­yl)thio­phen-3-yl]methanone. Acta Crystallographica Section E, 74 (12). pp. 1800-1803. ISSN 2056-9890

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The title compound, C\sb 13H\sb 12O\sb 2S\sb 2, crystallizes in the triclinic space group \it Pøverline1. The mol\-ecular structure is substanti\-ally twisted, with a dihedral angle of 43.70(2)\circ between the 2-(methyl\-sulfan\-yl)thio\-phene and 4-meth\-oxy\-phenyl rings. In the crystal, mol\-ecules are linked through C—-H⋅sO inter\-actions and form a bifurcated layer stacking along the \it b-axis direction and enclosing \it R\sb 2\sp 2(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.

Item Type: Article
Uncontrolled Keywords: crystal structure, thiophene, Hirschfeld surface
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: Manjula P Library Assistant
Date Deposited: 08 Aug 2019 10:43
Last Modified: 08 Aug 2019 10:43

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