1-Methyl-4-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyridinium 4-bromobenzenesulfonate monohydrate
In the title hydrated salt, C15H16NO2+·C6H4BrO3S−·H2O, 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...
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International Union of Crystallography
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Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536813027244 |
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doaj-f951a01f5902436bb3d36856729c16532020-11-25T00:53:40ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-11-016911o1623o162410.1107/S16005368130272441-Methyl-4-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyridinium 4-bromobenzenesulfonate monohydrateSuchada ChantraprommaPumsak RuanwasBoonwasana JindawongHoong-Kun FunIn the title hydrated salt, C15H16NO2+·C6H4BrO3S−·H2O, 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 [Cmethyl—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.http://scripts.iucr.org/cgi-bin/paper?S1600536813027244 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Suchada Chantrapromma Pumsak Ruanwas Boonwasana Jindawong Hoong-Kun Fun |
spellingShingle |
Suchada Chantrapromma Pumsak Ruanwas Boonwasana Jindawong Hoong-Kun Fun 1-Methyl-4-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyridinium 4-bromobenzenesulfonate monohydrate Acta Crystallographica Section E |
author_facet |
Suchada Chantrapromma Pumsak Ruanwas Boonwasana Jindawong Hoong-Kun Fun |
author_sort |
Suchada Chantrapromma |
title |
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_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_sort |
1-methyl-4-[(e)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyridinium 4-bromobenzenesulfonate monohydrate |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2013-11-01 |
description |
In the title hydrated salt, C15H16NO2+·C6H4BrO3S−·H2O, 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 [Cmethyl—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. |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536813027244 |
work_keys_str_mv |
AT suchadachantrapromma 1methyl4e23hydroxy4methoxyphenylethenylpyridinium4bromobenzenesulfonatemonohydrate AT pumsakruanwas 1methyl4e23hydroxy4methoxyphenylethenylpyridinium4bromobenzenesulfonatemonohydrate AT boonwasanajindawong 1methyl4e23hydroxy4methoxyphenylethenylpyridinium4bromobenzenesulfonatemonohydrate AT hoongkunfun 1methyl4e23hydroxy4methoxyphenylethenylpyridinium4bromobenzenesulfonatemonohydrate |
_version_ |
1725237166011842560 |