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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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Autores principales: Fun, Hoong Kun, Chantrapromma, Suchada, Jansrisewangwong, Patcharaporn
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
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.
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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
title_full (E)-4-[2-(4-Eth­oxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-bromo­benzene­sulfonate methanol hemisolvate
title_fullStr (E)-4-[2-(4-Eth­oxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-bromo­benzene­sulfonate methanol hemisolvate
title_full_unstemmed (E)-4-[2-(4-Eth­oxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-bromo­benzene­sulfonate methanol hemisolvate
title_short (E)-4-[2-(4-Eth­oxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-bromo­benzene­sulfonate methanol hemisolvate
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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