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Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
The title compound, C(19)H(12)ClF(3)O(3), obtained by the photochemical transformation of 2-[5-chloro-2-(prop-2-ynyloxy)benzoyl]-3-[4-(trifluoromethyl)phenyl]oxirane adopts a Z conformation with respect to the enolic C=C double bond. The dihedral angle between the benzene rings is 12.25 (16)°...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571394/ https://www.ncbi.nlm.nih.gov/pubmed/26396794 http://dx.doi.org/10.1107/S2056989015012748 |
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author | Dalal, Aarti Kamboj, Ramesh C. Kumar, Dinesh Sharma, Mahendra Kumar Selvarajan, Nagendran |
author_facet | Dalal, Aarti Kamboj, Ramesh C. Kumar, Dinesh Sharma, Mahendra Kumar Selvarajan, Nagendran |
author_sort | Dalal, Aarti |
collection | PubMed |
description | The title compound, C(19)H(12)ClF(3)O(3), obtained by the photochemical transformation of 2-[5-chloro-2-(prop-2-ynyloxy)benzoyl]-3-[4-(trifluoromethyl)phenyl]oxirane adopts a Z conformation with respect to the enolic C=C double bond. The dihedral angle between the benzene rings is 12.25 (16)° and an intramolecular O—H⋯O hydrogen bond closes an S(6) ring. An intramolecular C—H⋯O interaction also leads to an S(6) ring. In the crystal, very weak C—H⋯O interactions and short Cl⋯Cl contacts [3.3221 (16) Å] are seen, as well as weak aromatic π–π stacking interactions [centroid–centroid separation = 3.879 (2) Å]. |
format | Online Article Text |
id | pubmed-4571394 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45713942015-09-22 Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one Dalal, Aarti Kamboj, Ramesh C. Kumar, Dinesh Sharma, Mahendra Kumar Selvarajan, Nagendran Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(19)H(12)ClF(3)O(3), obtained by the photochemical transformation of 2-[5-chloro-2-(prop-2-ynyloxy)benzoyl]-3-[4-(trifluoromethyl)phenyl]oxirane adopts a Z conformation with respect to the enolic C=C double bond. The dihedral angle between the benzene rings is 12.25 (16)° and an intramolecular O—H⋯O hydrogen bond closes an S(6) ring. An intramolecular C—H⋯O interaction also leads to an S(6) ring. In the crystal, very weak C—H⋯O interactions and short Cl⋯Cl contacts [3.3221 (16) Å] are seen, as well as weak aromatic π–π stacking interactions [centroid–centroid separation = 3.879 (2) Å]. International Union of Crystallography 2015-07-08 /pmc/articles/PMC4571394/ /pubmed/26396794 http://dx.doi.org/10.1107/S2056989015012748 Text en © Dalal et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Dalal, Aarti Kamboj, Ramesh C. Kumar, Dinesh Sharma, Mahendra Kumar Selvarajan, Nagendran Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
title | Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
title_full | Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
title_fullStr | Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
title_full_unstemmed | Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
title_short | Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
title_sort | crystal structure of (z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571394/ https://www.ncbi.nlm.nih.gov/pubmed/26396794 http://dx.doi.org/10.1107/S2056989015012748 |
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