Crystal structure and Hirshfeld surface analysis of 1-(4-bromo­phen­yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxa­diazol-2-yl]sulfan­yl}ethan-1-one

In the title compound, C(15)H(10)BrN(3)O(2)S, the dihedral angles between the 1,3,4-oxa­diazole ring and the 3-pyridinyl and bromo­benzene rings are 12.17 (15) and 18.74 (15)°, respectively. In the crystal, the mol­ecules are linked into [100] chains by way of C—H⋯O, C—H⋯N, C—H⋯S hydrogen bonds. The...

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Autores principales: Bano, Huma, Hussain, Shafqat, Khan, Khalid M., Perveen, Shahnaz, Yousuf, Sammer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382636/
https://www.ncbi.nlm.nih.gov/pubmed/28435735
http://dx.doi.org/10.1107/S2056989017004819
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author Bano, Huma
Hussain, Shafqat
Khan, Khalid M.
Perveen, Shahnaz
Yousuf, Sammer
author_facet Bano, Huma
Hussain, Shafqat
Khan, Khalid M.
Perveen, Shahnaz
Yousuf, Sammer
author_sort Bano, Huma
collection PubMed
description In the title compound, C(15)H(10)BrN(3)O(2)S, the dihedral angles between the 1,3,4-oxa­diazole ring and the 3-pyridinyl and bromo­benzene rings are 12.17 (15) and 18.74 (15)°, respectively. In the crystal, the mol­ecules are linked into [100] chains by way of C—H⋯O, C—H⋯N, C—H⋯S hydrogen bonds. The Hirshfeld surface analysis indicates that the most important contributions to the packing are H⋯H (19.5%), N⋯H (17.3%), C⋯H (15.5%), Br⋯H (11.7%), and O⋯H (11.0%) inter­actions.
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spelling pubmed-53826362017-04-21 Crystal structure and Hirshfeld surface analysis of 1-(4-bromo­phen­yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxa­diazol-2-yl]sulfan­yl}ethan-1-one Bano, Huma Hussain, Shafqat Khan, Khalid M. Perveen, Shahnaz Yousuf, Sammer Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(15)H(10)BrN(3)O(2)S, the dihedral angles between the 1,3,4-oxa­diazole ring and the 3-pyridinyl and bromo­benzene rings are 12.17 (15) and 18.74 (15)°, respectively. In the crystal, the mol­ecules are linked into [100] chains by way of C—H⋯O, C—H⋯N, C—H⋯S hydrogen bonds. The Hirshfeld surface analysis indicates that the most important contributions to the packing are H⋯H (19.5%), N⋯H (17.3%), C⋯H (15.5%), Br⋯H (11.7%), and O⋯H (11.0%) inter­actions. International Union of Crystallography 2017-03-31 /pmc/articles/PMC5382636/ /pubmed/28435735 http://dx.doi.org/10.1107/S2056989017004819 Text en © Bano et al. 2017 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
Bano, Huma
Hussain, Shafqat
Khan, Khalid M.
Perveen, Shahnaz
Yousuf, Sammer
Crystal structure and Hirshfeld surface analysis of 1-(4-bromo­phen­yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxa­diazol-2-yl]sulfan­yl}ethan-1-one
title Crystal structure and Hirshfeld surface analysis of 1-(4-bromo­phen­yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxa­diazol-2-yl]sulfan­yl}ethan-1-one
title_full Crystal structure and Hirshfeld surface analysis of 1-(4-bromo­phen­yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxa­diazol-2-yl]sulfan­yl}ethan-1-one
title_fullStr Crystal structure and Hirshfeld surface analysis of 1-(4-bromo­phen­yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxa­diazol-2-yl]sulfan­yl}ethan-1-one
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 1-(4-bromo­phen­yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxa­diazol-2-yl]sulfan­yl}ethan-1-one
title_short Crystal structure and Hirshfeld surface analysis of 1-(4-bromo­phen­yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxa­diazol-2-yl]sulfan­yl}ethan-1-one
title_sort crystal structure and hirshfeld surface analysis of 1-(4-bromo­phen­yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxa­diazol-2-yl]sulfan­yl}ethan-1-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382636/
https://www.ncbi.nlm.nih.gov/pubmed/28435735
http://dx.doi.org/10.1107/S2056989017004819
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