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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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. |
format | Online Article Text |
id | pubmed-3884297 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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