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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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. |
format | Online Article Text |
id | pubmed-4011304 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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