1-Methyl-2-[(E)-2,4,5-trimeth­oxy­styr­yl]pyridinium 4-meth­oxy­benzene­sulfonate monohydrate

In the title compound, C(17)H(20)NO(3) (+)·C(7)H(7)O(4)S(−)·H(2)O, the cation exists in an E configuration with respect to the C=C bond and is twisted with a dihedral angle of 17.81 (8)° between the pyridinium and benzene rings. The benzene ring of the anion is almost parallel to the pyridinium ring...

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Autores principales: Fun, Hoong-Kun, Mueangkeaw, Charoensak, Ruanwas, Pumsak, Chantrapromma, Suchada
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100012/
https://www.ncbi.nlm.nih.gov/pubmed/21754147
http://dx.doi.org/10.1107/S1600536811008610
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author Fun, Hoong-Kun
Mueangkeaw, Charoensak
Ruanwas, Pumsak
Chantrapromma, Suchada
author_facet Fun, Hoong-Kun
Mueangkeaw, Charoensak
Ruanwas, Pumsak
Chantrapromma, Suchada
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(17)H(20)NO(3) (+)·C(7)H(7)O(4)S(−)·H(2)O, the cation exists in an E configuration with respect to the C=C bond and is twisted with a dihedral angle of 17.81 (8)° between the pyridinium and benzene rings. The benzene ring of the anion is almost parallel to the pyridinium ring [dihedral angle = 3.45 (9)°], whereas it is inclined to the benzene ring of the cation [dihedral angle = 17.62 (8)°]. The crystal structure is stabilized by O—H⋯O hydrogen bonds and weak C—H⋯O inter­actions which link the cations, anions and water mol­ecules into chains along the a axis. π–π inter­actions with centroid–centroid distances of 3.7751 (9) and 3.7920 (11) Å are also observed.
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spelling pubmed-31000122011-07-13 1-Methyl-2-[(E)-2,4,5-trimeth­oxy­styr­yl]pyridinium 4-meth­oxy­benzene­sulfonate monohydrate Fun, Hoong-Kun Mueangkeaw, Charoensak Ruanwas, Pumsak Chantrapromma, Suchada Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(20)NO(3) (+)·C(7)H(7)O(4)S(−)·H(2)O, the cation exists in an E configuration with respect to the C=C bond and is twisted with a dihedral angle of 17.81 (8)° between the pyridinium and benzene rings. The benzene ring of the anion is almost parallel to the pyridinium ring [dihedral angle = 3.45 (9)°], whereas it is inclined to the benzene ring of the cation [dihedral angle = 17.62 (8)°]. The crystal structure is stabilized by O—H⋯O hydrogen bonds and weak C—H⋯O inter­actions which link the cations, anions and water mol­ecules into chains along the a axis. π–π inter­actions with centroid–centroid distances of 3.7751 (9) and 3.7920 (11) Å are also observed. International Union of Crystallography 2011-03-12 /pmc/articles/PMC3100012/ /pubmed/21754147 http://dx.doi.org/10.1107/S1600536811008610 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
Mueangkeaw, Charoensak
Ruanwas, Pumsak
Chantrapromma, Suchada
1-Methyl-2-[(E)-2,4,5-trimeth­oxy­styr­yl]pyridinium 4-meth­oxy­benzene­sulfonate monohydrate
title 1-Methyl-2-[(E)-2,4,5-trimeth­oxy­styr­yl]pyridinium 4-meth­oxy­benzene­sulfonate monohydrate
title_full 1-Methyl-2-[(E)-2,4,5-trimeth­oxy­styr­yl]pyridinium 4-meth­oxy­benzene­sulfonate monohydrate
title_fullStr 1-Methyl-2-[(E)-2,4,5-trimeth­oxy­styr­yl]pyridinium 4-meth­oxy­benzene­sulfonate monohydrate
title_full_unstemmed 1-Methyl-2-[(E)-2,4,5-trimeth­oxy­styr­yl]pyridinium 4-meth­oxy­benzene­sulfonate monohydrate
title_short 1-Methyl-2-[(E)-2,4,5-trimeth­oxy­styr­yl]pyridinium 4-meth­oxy­benzene­sulfonate monohydrate
title_sort 1-methyl-2-[(e)-2,4,5-trimeth­oxy­styr­yl]pyridinium 4-meth­oxy­benzene­sulfonate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100012/
https://www.ncbi.nlm.nih.gov/pubmed/21754147
http://dx.doi.org/10.1107/S1600536811008610
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AT ruanwaspumsak 1methyl2e245trimethoxystyrylpyridinium4methoxybenzenesulfonatemonohydrate
AT chantraprommasuchada 1methyl2e245trimethoxystyrylpyridinium4methoxybenzenesulfonatemonohydrate

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