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(5-Fluoro-4′-methyl­biphenyl-3-yl)(2,4,6-tri­methyl­phen­yl)iodo­nium tri­fluoro­methane­sulfonate

In the title mol­ecular salt, C(22)H(21)FI(+)·CF(3)SO(3) (−), the dihedral angle between the rings of the biphenyl group is 65.6 (1)°. The ring of the mesitylene group is inclined to the fluoro­benzene ring at an angle of 86.1 (3)° and the C—I—C bond angle is 97.0 (2)°. In the crystal, extremely sho...

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Autores principales: Shao, Ying, Liu, Xiao-Long, Wu, Zhu-Hong, Xia, Yong-An
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011304/
https://www.ncbi.nlm.nih.gov/pubmed/24860336
http://dx.doi.org/10.1107/S160053681400720X
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author Shao, Ying
Liu, Xiao-Long
Wu, Zhu-Hong
Xia, Yong-An
author_facet Shao, Ying
Liu, Xiao-Long
Wu, Zhu-Hong
Xia, Yong-An
author_sort Shao, Ying
collection PubMed
description In the title mol­ecular salt, C(22)H(21)FI(+)·CF(3)SO(3) (−), the dihedral angle between the rings of the biphenyl group is 65.6 (1)°. The ring of the mesitylene group is inclined to the fluoro­benzene ring at an angle of 86.1 (3)° and the C—I—C bond angle is 97.0 (2)°. In the crystal, extremely short I⋯O contacts of 2.862 (5) and 2.932 (5) Å occur, due to the strong electrostatic inter­actions between the I atom and two adjacent tri­fluoro­methane­sulfonate counter-ions. There are also C—H⋯F and C—H⋯π inter­actions present: together with the I⋯O bonds, these result in a three-dimensional network.
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spelling pubmed-40113042014-05-23 (5-Fluoro-4′-methyl­biphenyl-3-yl)(2,4,6-tri­methyl­phen­yl)iodo­nium tri­fluoro­methane­sulfonate Shao, Ying Liu, Xiao-Long Wu, Zhu-Hong Xia, Yong-An Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecular salt, C(22)H(21)FI(+)·CF(3)SO(3) (−), the dihedral angle between the rings of the biphenyl group is 65.6 (1)°. The ring of the mesitylene group is inclined to the fluoro­benzene ring at an angle of 86.1 (3)° and the C—I—C bond angle is 97.0 (2)°. In the crystal, extremely short I⋯O contacts of 2.862 (5) and 2.932 (5) Å occur, due to the strong electrostatic inter­actions between the I atom and two adjacent tri­fluoro­methane­sulfonate counter-ions. There are also C—H⋯F and C—H⋯π inter­actions present: together with the I⋯O bonds, these result in a three-dimensional network. International Union of Crystallography 2014-04-05 /pmc/articles/PMC4011304/ /pubmed/24860336 http://dx.doi.org/10.1107/S160053681400720X Text en © Shao et al. 2014 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
Shao, Ying
Liu, Xiao-Long
Wu, Zhu-Hong
Xia, Yong-An
(5-Fluoro-4′-methyl­biphenyl-3-yl)(2,4,6-tri­methyl­phen­yl)iodo­nium tri­fluoro­methane­sulfonate
title (5-Fluoro-4′-methyl­biphenyl-3-yl)(2,4,6-tri­methyl­phen­yl)iodo­nium tri­fluoro­methane­sulfonate
title_full (5-Fluoro-4′-methyl­biphenyl-3-yl)(2,4,6-tri­methyl­phen­yl)iodo­nium tri­fluoro­methane­sulfonate
title_fullStr (5-Fluoro-4′-methyl­biphenyl-3-yl)(2,4,6-tri­methyl­phen­yl)iodo­nium tri­fluoro­methane­sulfonate
title_full_unstemmed (5-Fluoro-4′-methyl­biphenyl-3-yl)(2,4,6-tri­methyl­phen­yl)iodo­nium tri­fluoro­methane­sulfonate
title_short (5-Fluoro-4′-methyl­biphenyl-3-yl)(2,4,6-tri­methyl­phen­yl)iodo­nium tri­fluoro­methane­sulfonate
title_sort (5-fluoro-4′-methyl­biphenyl-3-yl)(2,4,6-tri­methyl­phen­yl)iodo­nium tri­fluoro­methane­sulfonate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011304/
https://www.ncbi.nlm.nih.gov/pubmed/24860336
http://dx.doi.org/10.1107/S160053681400720X
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AT wuzhuhong 5fluoro4methylbiphenyl3yl246trimethylphenyliodoniumtrifluoromethanesulfonate
AT xiayongan 5fluoro4methylbiphenyl3yl246trimethylphenyliodoniumtrifluoromethanesulfonate