Methyl 2-[4-(tri­fluoro­meth­yl)phenyl­sulfan­yl]benzoate

In the title compound, C(15)H(13)F(3)O(2)S, the dihedral angle between the benzene rings is 79.5 (1)°. The ester group is twisted by 7.6 (1)° from the mean plane of the adjacent benzene ring. Disorder was modeled over two sites for one F atom of the tri­fluoro­methyl group with an occupancy ratio of...

Descripción completa

Detalles Bibliográficos
Autores principales: Yamuna, Thammarse S., Jasinski, Jerry P., Anderson, Brian J., Yathirajan, H. S., Kaur, Manpreet
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884328/
https://www.ncbi.nlm.nih.gov/pubmed/24454104
http://dx.doi.org/10.1107/S1600536813028146
_version_ 1782298565307006976
author Yamuna, Thammarse S.
Jasinski, Jerry P.
Anderson, Brian J.
Yathirajan, H. S.
Kaur, Manpreet
author_facet Yamuna, Thammarse S.
Jasinski, Jerry P.
Anderson, Brian J.
Yathirajan, H. S.
Kaur, Manpreet
author_sort Yamuna, Thammarse S.
collection PubMed
description In the title compound, C(15)H(13)F(3)O(2)S, the dihedral angle between the benzene rings is 79.5 (1)°. The ester group is twisted by 7.6 (1)° from the mean plane of the adjacent benzene ring. Disorder was modeled over two sites for one F atom of the tri­fluoro­methyl group with an occupancy ratio of 0.54 (6):0.46 (6). In the crystal, mol­ecules are linked via weak C—H⋯O hydrogen bonds, forming two-dimensional networks lying parallel to (101). The networks are linked via C—H⋯π inter­actions, leading to the formation of a three-dimensional supra­molecular structure.
format Online
Article
Text
id pubmed-3884328
institution National Center for Biotechnology Information
language English
publishDate 2013
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-38843282014-01-17 Methyl 2-[4-(tri­fluoro­meth­yl)phenyl­sulfan­yl]benzoate Yamuna, Thammarse S. Jasinski, Jerry P. Anderson, Brian J. Yathirajan, H. S. Kaur, Manpreet Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(13)F(3)O(2)S, the dihedral angle between the benzene rings is 79.5 (1)°. The ester group is twisted by 7.6 (1)° from the mean plane of the adjacent benzene ring. Disorder was modeled over two sites for one F atom of the tri­fluoro­methyl group with an occupancy ratio of 0.54 (6):0.46 (6). In the crystal, mol­ecules are linked via weak C—H⋯O hydrogen bonds, forming two-dimensional networks lying parallel to (101). The networks are linked via C—H⋯π inter­actions, leading to the formation of a three-dimensional supra­molecular structure. International Union of Crystallography 2013-10-19 /pmc/articles/PMC3884328/ /pubmed/24454104 http://dx.doi.org/10.1107/S1600536813028146 Text en © Yamuna et al. 2013 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
Yamuna, Thammarse S.
Jasinski, Jerry P.
Anderson, Brian J.
Yathirajan, H. S.
Kaur, Manpreet
Methyl 2-[4-(tri­fluoro­meth­yl)phenyl­sulfan­yl]benzoate
title Methyl 2-[4-(tri­fluoro­meth­yl)phenyl­sulfan­yl]benzoate
title_full Methyl 2-[4-(tri­fluoro­meth­yl)phenyl­sulfan­yl]benzoate
title_fullStr Methyl 2-[4-(tri­fluoro­meth­yl)phenyl­sulfan­yl]benzoate
title_full_unstemmed Methyl 2-[4-(tri­fluoro­meth­yl)phenyl­sulfan­yl]benzoate
title_short Methyl 2-[4-(tri­fluoro­meth­yl)phenyl­sulfan­yl]benzoate
title_sort methyl 2-[4-(tri­fluoro­meth­yl)phenyl­sulfan­yl]benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884328/
https://www.ncbi.nlm.nih.gov/pubmed/24454104
http://dx.doi.org/10.1107/S1600536813028146
work_keys_str_mv AT yamunathammarses methyl24trifluoromethylphenylsulfanylbenzoate
AT jasinskijerryp methyl24trifluoromethylphenylsulfanylbenzoate
AT andersonbrianj methyl24trifluoromethylphenylsulfanylbenzoate
AT yathirajanhs methyl24trifluoromethylphenylsulfanylbenzoate
AT kaurmanpreet methyl24trifluoromethylphenylsulfanylbenzoate

Ejemplares similares