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1-{5-[2-Chloro-5-(trifluoromethyl)phenyl]thiophen-2-yl}ethanone
In the title molecule, C(13)H(8)ClF(3)OS, the dihedral angle between the mean planes of 2-chloro-5-(trifluoromethyl)phenyl and tiophene rings is 54.37 (5)°. The acethyl group is twisted by 8.1 (2)° with respect to the thiophene ring. The CF(3) group is disordered over two sets of sites with occup...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3052071/ https://www.ncbi.nlm.nih.gov/pubmed/21522346 http://dx.doi.org/10.1107/S1600536811003965 |
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author | Lytvyn, Roman Horak, Yuri Matiychuk, Vasyl Obushak, Mykola Kinzhybalo, Vasyl |
author_facet | Lytvyn, Roman Horak, Yuri Matiychuk, Vasyl Obushak, Mykola Kinzhybalo, Vasyl |
author_sort | Lytvyn, Roman |
collection | PubMed |
description | In the title molecule, C(13)H(8)ClF(3)OS, the dihedral angle between the mean planes of 2-chloro-5-(trifluoromethyl)phenyl and tiophene rings is 54.37 (5)°. The acethyl group is twisted by 8.1 (2)° with respect to the thiophene ring. The CF(3) group is disordered over two sets of sites with occupations of 0.49 (3) and 0.51 (3). The crystal packing features C—H⋯F and C—H⋯O hydrogen bonds, forming dimers which are connected into chains along the c axis by C—H⋯O hydrogen bonds and C—Cl⋯π [Cl⋯π = 3.415 (1) Å and C—Cl⋯π = 151.56 (5)°] interactions. The chains are further connected into layers perpendicular to the a axis by C—H⋯O interactions. |
format | Text |
id | pubmed-3052071 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30520712011-04-26 1-{5-[2-Chloro-5-(trifluoromethyl)phenyl]thiophen-2-yl}ethanone Lytvyn, Roman Horak, Yuri Matiychuk, Vasyl Obushak, Mykola Kinzhybalo, Vasyl Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, C(13)H(8)ClF(3)OS, the dihedral angle between the mean planes of 2-chloro-5-(trifluoromethyl)phenyl and tiophene rings is 54.37 (5)°. The acethyl group is twisted by 8.1 (2)° with respect to the thiophene ring. The CF(3) group is disordered over two sets of sites with occupations of 0.49 (3) and 0.51 (3). The crystal packing features C—H⋯F and C—H⋯O hydrogen bonds, forming dimers which are connected into chains along the c axis by C—H⋯O hydrogen bonds and C—Cl⋯π [Cl⋯π = 3.415 (1) Å and C—Cl⋯π = 151.56 (5)°] interactions. The chains are further connected into layers perpendicular to the a axis by C—H⋯O interactions. International Union of Crystallography 2011-02-09 /pmc/articles/PMC3052071/ /pubmed/21522346 http://dx.doi.org/10.1107/S1600536811003965 Text en © Lytvyn et al. 2011 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 | Organic Papers Lytvyn, Roman Horak, Yuri Matiychuk, Vasyl Obushak, Mykola Kinzhybalo, Vasyl 1-{5-[2-Chloro-5-(trifluoromethyl)phenyl]thiophen-2-yl}ethanone |
title | 1-{5-[2-Chloro-5-(trifluoromethyl)phenyl]thiophen-2-yl}ethanone |
title_full | 1-{5-[2-Chloro-5-(trifluoromethyl)phenyl]thiophen-2-yl}ethanone |
title_fullStr | 1-{5-[2-Chloro-5-(trifluoromethyl)phenyl]thiophen-2-yl}ethanone |
title_full_unstemmed | 1-{5-[2-Chloro-5-(trifluoromethyl)phenyl]thiophen-2-yl}ethanone |
title_short | 1-{5-[2-Chloro-5-(trifluoromethyl)phenyl]thiophen-2-yl}ethanone |
title_sort | 1-{5-[2-chloro-5-(trifluoromethyl)phenyl]thiophen-2-yl}ethanone |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3052071/ https://www.ncbi.nlm.nih.gov/pubmed/21522346 http://dx.doi.org/10.1107/S1600536811003965 |
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