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

The title compound, C(13)H(12)O(2)S(2), crystallizes in the triclinic space group P [Image: see text]. 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...

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Autores principales: Nagaraju, S., Sridhar, M. A., Pradeepa Kumara, C.S., Sadashiva, M. P., Lakshminarayana, B. N., Lokanath, N. K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6281100/
https://www.ncbi.nlm.nih.gov/pubmed/30574377
http://dx.doi.org/10.1107/S2056989018016043
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author Nagaraju, S.
Sridhar, M. A.
Pradeepa Kumara, C.S.
Sadashiva, M. P.
Lakshminarayana, B. N.
Lokanath, N. K.
author_facet Nagaraju, S.
Sridhar, M. A.
Pradeepa Kumara, C.S.
Sadashiva, M. P.
Lakshminarayana, B. N.
Lokanath, N. K.
author_sort Nagaraju, S.
collection PubMed
description The title compound, C(13)H(12)O(2)S(2), crystallizes in the triclinic space group P [Image: see text]. 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 R (2) (2)(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.
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spelling pubmed-62811002018-12-20 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. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(13)H(12)O(2)S(2), crystallizes in the triclinic space group P [Image: see text]. 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 R (2) (2)(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. International Union of Crystallography 2018-11-16 /pmc/articles/PMC6281100/ /pubmed/30574377 http://dx.doi.org/10.1107/S2056989018016043 Text en © Nagaraju et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Nagaraju, S.
Sridhar, M. A.
Pradeepa Kumara, C.S.
Sadashiva, M. P.
Lakshminarayana, B. N.
Lokanath, N. K.
Synthesis, mol­ecular structure and Hirshfeld surface analysis of (4-meth­oxy­phen­yl)[2-(methyl­sulfan­yl)thio­phen-3-yl]methanone
title Synthesis, mol­ecular structure and Hirshfeld surface analysis of (4-meth­oxy­phen­yl)[2-(methyl­sulfan­yl)thio­phen-3-yl]methanone
title_full Synthesis, mol­ecular structure and Hirshfeld surface analysis of (4-meth­oxy­phen­yl)[2-(methyl­sulfan­yl)thio­phen-3-yl]methanone
title_fullStr Synthesis, mol­ecular structure and Hirshfeld surface analysis of (4-meth­oxy­phen­yl)[2-(methyl­sulfan­yl)thio­phen-3-yl]methanone
title_full_unstemmed Synthesis, mol­ecular structure and Hirshfeld surface analysis of (4-meth­oxy­phen­yl)[2-(methyl­sulfan­yl)thio­phen-3-yl]methanone
title_short Synthesis, mol­ecular structure and Hirshfeld surface analysis of (4-meth­oxy­phen­yl)[2-(methyl­sulfan­yl)thio­phen-3-yl]methanone
title_sort synthesis, mol­ecular structure and hirshfeld surface analysis of (4-meth­oxy­phen­yl)[2-(methyl­sulfan­yl)thio­phen-3-yl]methanone
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6281100/
https://www.ncbi.nlm.nih.gov/pubmed/30574377
http://dx.doi.org/10.1107/S2056989018016043
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