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Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone
In the title compound, C(16)H(10)Cl(2)N(2)O(2)S, the dihedral angles formed by the chloro-substituted benzene rings with the central oxadiazole ring are 6.54 (9) and 6.94 (8)°. In the crystal, C—H⋯N hydrogen bonding links the molecules into undulating ribbons running parallel to the b axis. Hirshf...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382613/ https://www.ncbi.nlm.nih.gov/pubmed/28435712 http://dx.doi.org/10.1107/S2056989017003978 |
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author | Kumar, Rajesh Hussain, Shafqat Khan, Khalid M. Perveen, Shahnaz Yousuf, Sammer |
author_facet | Kumar, Rajesh Hussain, Shafqat Khan, Khalid M. Perveen, Shahnaz Yousuf, Sammer |
author_sort | Kumar, Rajesh |
collection | PubMed |
description | In the title compound, C(16)H(10)Cl(2)N(2)O(2)S, the dihedral angles formed by the chloro-substituted benzene rings with the central oxadiazole ring are 6.54 (9) and 6.94 (8)°. In the crystal, C—H⋯N hydrogen bonding links the molecules into undulating ribbons running parallel to the b axis. Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are the H⋯C (18%), H⋯H (17%), H⋯Cl (16.6%), H⋯O (10.4%), H⋯N (8.9%) and H⋯S (5.9%) interactions. |
format | Online Article Text |
id | pubmed-5382613 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-53826132017-04-21 Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone Kumar, Rajesh Hussain, Shafqat Khan, Khalid M. Perveen, Shahnaz Yousuf, Sammer Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(16)H(10)Cl(2)N(2)O(2)S, the dihedral angles formed by the chloro-substituted benzene rings with the central oxadiazole ring are 6.54 (9) and 6.94 (8)°. In the crystal, C—H⋯N hydrogen bonding links the molecules into undulating ribbons running parallel to the b axis. Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are the H⋯C (18%), H⋯H (17%), H⋯Cl (16.6%), H⋯O (10.4%), H⋯N (8.9%) and H⋯S (5.9%) interactions. International Union of Crystallography 2017-03-17 /pmc/articles/PMC5382613/ /pubmed/28435712 http://dx.doi.org/10.1107/S2056989017003978 Text en © Kumar 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 Kumar, Rajesh Hussain, Shafqat Khan, Khalid M. Perveen, Shahnaz Yousuf, Sammer Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone |
title | Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone |
title_full | Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone |
title_fullStr | Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone |
title_short | Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone |
title_sort | crystal structure and hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382613/ https://www.ncbi.nlm.nih.gov/pubmed/28435712 http://dx.doi.org/10.1107/S2056989017003978 |
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