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(E)-4-[2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate methanol hemisolvate
In the title compound, C(16)H(18)NO(+)·C(6)H(4)BrO(3)S(−)·0.5CH(3)OH, the cation exists in the E configuration and the whole molecule of the cation, except for the O atom of the ethoxy group, is disordered with a site-occupancy ratio of 0.695 (5):0.305 (5). The cation is disordered in such a way t...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050231/ https://www.ncbi.nlm.nih.gov/pubmed/21522618 http://dx.doi.org/10.1107/S1600536810050944 |
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author | Fun, Hoong Kun Chantrapromma, Suchada Jansrisewangwong, Patcharaporn |
author_facet | Fun, Hoong Kun Chantrapromma, Suchada Jansrisewangwong, Patcharaporn |
author_sort | Fun, Hoong Kun |
collection | PubMed |
description | In the title compound, C(16)H(18)NO(+)·C(6)H(4)BrO(3)S(−)·0.5CH(3)OH, the cation exists in the E configuration and the whole molecule of the cation, except for the O atom of the ethoxy group, is disordered with a site-occupancy ratio of 0.695 (5):0.305 (5). The cation is disordered in such a way that the ethenyl units of the major and minor components are related by 180° around the long molecular axis. In the major component, the cation is almost planar, the dihedral angle between the pyridinium and benzene rings being 0.8 (3)°, whereas in the minor component, the dihedral angle between the two aromatic rings is 4.2 (6)°. In the crystal, the cations are stacked in an antiparallel manner along the a axis, while the anions and methanol molecules are linked through O—H⋯O hydrogen bonds and Br⋯O short contacts [3.0248 (13) Å] into a tape along the same direction. The three components are further linked by weak C—H⋯O, C—H⋯Br and C—H⋯π interactions. |
format | Text |
id | pubmed-3050231 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30502312011-04-26 (E)-4-[2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate methanol hemisolvate Fun, Hoong Kun Chantrapromma, Suchada Jansrisewangwong, Patcharaporn Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(18)NO(+)·C(6)H(4)BrO(3)S(−)·0.5CH(3)OH, the cation exists in the E configuration and the whole molecule of the cation, except for the O atom of the ethoxy group, is disordered with a site-occupancy ratio of 0.695 (5):0.305 (5). The cation is disordered in such a way that the ethenyl units of the major and minor components are related by 180° around the long molecular axis. In the major component, the cation is almost planar, the dihedral angle between the pyridinium and benzene rings being 0.8 (3)°, whereas in the minor component, the dihedral angle between the two aromatic rings is 4.2 (6)°. In the crystal, the cations are stacked in an antiparallel manner along the a axis, while the anions and methanol molecules are linked through O—H⋯O hydrogen bonds and Br⋯O short contacts [3.0248 (13) Å] into a tape along the same direction. The three components are further linked by weak C—H⋯O, C—H⋯Br and C—H⋯π interactions. International Union of Crystallography 2010-12-11 /pmc/articles/PMC3050231/ /pubmed/21522618 http://dx.doi.org/10.1107/S1600536810050944 Text en © Fun 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 Fun, Hoong Kun Chantrapromma, Suchada Jansrisewangwong, Patcharaporn (E)-4-[2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate methanol hemisolvate |
title | (E)-4-[2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate methanol hemisolvate
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title_full | (E)-4-[2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate methanol hemisolvate
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title_fullStr | (E)-4-[2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate methanol hemisolvate
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title_full_unstemmed | (E)-4-[2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate methanol hemisolvate
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title_short | (E)-4-[2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate methanol hemisolvate
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title_sort | (e)-4-[2-(4-ethoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate methanol hemisolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050231/ https://www.ncbi.nlm.nih.gov/pubmed/21522618 http://dx.doi.org/10.1107/S1600536810050944 |
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