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1-Methyl-4-[(E)-2-(3-hy­droxy-4-meth­oxy­phen­yl)ethen­yl]pyridinium 4-bromo­benzene­sulfonate monohydrate

In the title hydrated salt, C(15)H(16)NO(2) (+)·C(6)H(4)BrO(3)S(−)·H(2)O, the cation exists in an E conformation with respect to the ethenyl bond and is almost planar, with a dihedral angle of 2.62 (12)° between the planes of the pyridinium and benzene rings. The meth­oxy substituent deviates slight...

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Autores principales: Chantrapromma, Suchada, Ruanwas, Pumsak, Jindawong, Boonwasana, Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884297/
https://www.ncbi.nlm.nih.gov/pubmed/24454073
http://dx.doi.org/10.1107/S1600536813027244
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author Chantrapromma, Suchada
Ruanwas, Pumsak
Jindawong, Boonwasana
Fun, Hoong-Kun
author_facet Chantrapromma, Suchada
Ruanwas, Pumsak
Jindawong, Boonwasana
Fun, Hoong-Kun
author_sort Chantrapromma, Suchada
collection PubMed
description In the title hydrated salt, C(15)H(16)NO(2) (+)·C(6)H(4)BrO(3)S(−)·H(2)O, the cation exists in an E conformation with respect to the ethenyl bond and is almost planar, with a dihedral angle of 2.62 (12)° between the planes of the pyridinium and benzene rings. The meth­oxy substituent deviates slightly from the plane of its attached benzene ring [C(meth­yl)—O—C—C torsion angle = −11.6 (6)°]. In the crystal, the cations, anion and water mol­ecules are linked together into chains along [010] by O—H⋯O hydrogen bonds and weak C—H⋯O inter­actions. There is a short Br⋯O contact [3.029 (2) Å]. The crystal structure also features C—H⋯π inter­actions involving the benzene ring of the anion.
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spelling pubmed-38842972014-01-17 1-Methyl-4-[(E)-2-(3-hy­droxy-4-meth­oxy­phen­yl)ethen­yl]pyridinium 4-bromo­benzene­sulfonate monohydrate Chantrapromma, Suchada Ruanwas, Pumsak Jindawong, Boonwasana Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title hydrated salt, C(15)H(16)NO(2) (+)·C(6)H(4)BrO(3)S(−)·H(2)O, the cation exists in an E conformation with respect to the ethenyl bond and is almost planar, with a dihedral angle of 2.62 (12)° between the planes of the pyridinium and benzene rings. The meth­oxy substituent deviates slightly from the plane of its attached benzene ring [C(meth­yl)—O—C—C torsion angle = −11.6 (6)°]. In the crystal, the cations, anion and water mol­ecules are linked together into chains along [010] by O—H⋯O hydrogen bonds and weak C—H⋯O inter­actions. There is a short Br⋯O contact [3.029 (2) Å]. The crystal structure also features C—H⋯π inter­actions involving the benzene ring of the anion. International Union of Crystallography 2013-10-09 /pmc/articles/PMC3884297/ /pubmed/24454073 http://dx.doi.org/10.1107/S1600536813027244 Text en © Chantrapromma et al. 2013 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
Chantrapromma, Suchada
Ruanwas, Pumsak
Jindawong, Boonwasana
Fun, Hoong-Kun
1-Methyl-4-[(E)-2-(3-hy­droxy-4-meth­oxy­phen­yl)ethen­yl]pyridinium 4-bromo­benzene­sulfonate monohydrate
title 1-Methyl-4-[(E)-2-(3-hy­droxy-4-meth­oxy­phen­yl)ethen­yl]pyridinium 4-bromo­benzene­sulfonate monohydrate
title_full 1-Methyl-4-[(E)-2-(3-hy­droxy-4-meth­oxy­phen­yl)ethen­yl]pyridinium 4-bromo­benzene­sulfonate monohydrate
title_fullStr 1-Methyl-4-[(E)-2-(3-hy­droxy-4-meth­oxy­phen­yl)ethen­yl]pyridinium 4-bromo­benzene­sulfonate monohydrate
title_full_unstemmed 1-Methyl-4-[(E)-2-(3-hy­droxy-4-meth­oxy­phen­yl)ethen­yl]pyridinium 4-bromo­benzene­sulfonate monohydrate
title_short 1-Methyl-4-[(E)-2-(3-hy­droxy-4-meth­oxy­phen­yl)ethen­yl]pyridinium 4-bromo­benzene­sulfonate monohydrate
title_sort 1-methyl-4-[(e)-2-(3-hy­droxy-4-meth­oxy­phen­yl)ethen­yl]pyridinium 4-bromo­benzene­sulfonate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884297/
https://www.ncbi.nlm.nih.gov/pubmed/24454073
http://dx.doi.org/10.1107/S1600536813027244
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