Crystal structure analysis of [5-(4-meth­oxy­phen­yl)-2-methyl-2H-1,2,3-triazol-4-yl](thio­phen-2-yl)methanone

The title compound, C(15)H(13)N(3)O(2)S, crystallizes in the monoclinic space group P2(1)/n and its mol­ecular conformation is stabilized via intra­molecular C—H⋯O and C—H⋯N contacts. The supra­molecular structure is mainly governed by C—H⋯N hydrogen-bonded centrosymmetric dimers, C—H⋯O and C—H⋯S hy...

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Autores principales: Bhandary, Subhrajyoti, Girish, Yarabhally R., Venugopala, Katharigatta N., Chopra, Deepak
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/PMC6073004/
https://www.ncbi.nlm.nih.gov/pubmed/30116588
http://dx.doi.org/10.1107/S2056989018010654
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author Bhandary, Subhrajyoti
Girish, Yarabhally R.
Venugopala, Katharigatta N.
Chopra, Deepak
author_facet Bhandary, Subhrajyoti
Girish, Yarabhally R.
Venugopala, Katharigatta N.
Chopra, Deepak
author_sort Bhandary, Subhrajyoti
collection PubMed
description The title compound, C(15)H(13)N(3)O(2)S, crystallizes in the monoclinic space group P2(1)/n and its mol­ecular conformation is stabilized via intra­molecular C—H⋯O and C—H⋯N contacts. The supra­molecular structure is mainly governed by C—H⋯N hydrogen-bonded centrosymmetric dimers, C—H⋯O and C—H⋯S hydrogen bonds and S⋯π and π–π stacking inter­actions which, together, lead to the formation of a layered crystal packing. The inter­molecular inter­actions were further evaluated through the mol­ecular electrostatic potential map and Hirshfeld fingerprint analysis.
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spelling pubmed-60730042018-08-16 Crystal structure analysis of [5-(4-meth­oxy­phen­yl)-2-methyl-2H-1,2,3-triazol-4-yl](thio­phen-2-yl)methanone Bhandary, Subhrajyoti Girish, Yarabhally R. Venugopala, Katharigatta N. Chopra, Deepak Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(15)H(13)N(3)O(2)S, crystallizes in the monoclinic space group P2(1)/n and its mol­ecular conformation is stabilized via intra­molecular C—H⋯O and C—H⋯N contacts. The supra­molecular structure is mainly governed by C—H⋯N hydrogen-bonded centrosymmetric dimers, C—H⋯O and C—H⋯S hydrogen bonds and S⋯π and π–π stacking inter­actions which, together, lead to the formation of a layered crystal packing. The inter­molecular inter­actions were further evaluated through the mol­ecular electrostatic potential map and Hirshfeld fingerprint analysis. International Union of Crystallography 2018-07-31 /pmc/articles/PMC6073004/ /pubmed/30116588 http://dx.doi.org/10.1107/S2056989018010654 Text en © Bhandary 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
Bhandary, Subhrajyoti
Girish, Yarabhally R.
Venugopala, Katharigatta N.
Chopra, Deepak
Crystal structure analysis of [5-(4-meth­oxy­phen­yl)-2-methyl-2H-1,2,3-triazol-4-yl](thio­phen-2-yl)methanone
title Crystal structure analysis of [5-(4-meth­oxy­phen­yl)-2-methyl-2H-1,2,3-triazol-4-yl](thio­phen-2-yl)methanone
title_full Crystal structure analysis of [5-(4-meth­oxy­phen­yl)-2-methyl-2H-1,2,3-triazol-4-yl](thio­phen-2-yl)methanone
title_fullStr Crystal structure analysis of [5-(4-meth­oxy­phen­yl)-2-methyl-2H-1,2,3-triazol-4-yl](thio­phen-2-yl)methanone
title_full_unstemmed Crystal structure analysis of [5-(4-meth­oxy­phen­yl)-2-methyl-2H-1,2,3-triazol-4-yl](thio­phen-2-yl)methanone
title_short Crystal structure analysis of [5-(4-meth­oxy­phen­yl)-2-methyl-2H-1,2,3-triazol-4-yl](thio­phen-2-yl)methanone
title_sort crystal structure analysis of [5-(4-meth­oxy­phen­yl)-2-methyl-2h-1,2,3-triazol-4-yl](thio­phen-2-yl)methanone
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6073004/
https://www.ncbi.nlm.nih.gov/pubmed/30116588
http://dx.doi.org/10.1107/S2056989018010654
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