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(E)-2-[4-(Diethylamino)styryl]-1-methylpyridinium benzenesulfonate monohydrate
The asymmetric unit of the title compound, C(18)H(23)N(2) (+)·C(6)H(5)O(3)S(−)·H(2)O, comprises a 2-[4-(diethylamino)styryl]-1-methylpyridinium cation, a benzenesulfonate anion and a solvent water molecule. One ethyl substituent of the diethylamino group of the cation is disordered over two p...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051968/ https://www.ncbi.nlm.nih.gov/pubmed/21522353 http://dx.doi.org/10.1107/S1600536811004156 |
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author | Fun, Hoong-Kun Kaewmanee, Narissara Chanawanno, Kullapa Chantrapromma, Suchada |
author_facet | Fun, Hoong-Kun Kaewmanee, Narissara Chanawanno, Kullapa Chantrapromma, Suchada |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | The asymmetric unit of the title compound, C(18)H(23)N(2) (+)·C(6)H(5)O(3)S(−)·H(2)O, comprises a 2-[4-(diethylamino)styryl]-1-methylpyridinium cation, a benzenesulfonate anion and a solvent water molecule. One ethyl substituent of the diethylamino group of the cation is disordered over two positions in a 0.73789 (9):0.26211 (9) ratio. The cation exists in the E configuration with respect to the C=C bond and the π-conjugated system is essentially planar with a dihedral angle of 0.82 (10)° between the pyridinium and benzene rings. The cation and anion are almost orthogonal with a dihedral angle of 86.71 (10)° between the π-conjugated system of the cation and benzene ring of the anion. In the crystal, molecules are arranged into chains along [001] and adjacent chains are linked by weak C—H⋯O interactions. The crystal is further stablilized by O—H⋯O hydrogen bonds and weak C—H⋯π interactions. |
format | Text |
id | pubmed-3051968 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30519682011-04-26 (E)-2-[4-(Diethylamino)styryl]-1-methylpyridinium benzenesulfonate monohydrate Fun, Hoong-Kun Kaewmanee, Narissara Chanawanno, Kullapa Chantrapromma, Suchada Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(18)H(23)N(2) (+)·C(6)H(5)O(3)S(−)·H(2)O, comprises a 2-[4-(diethylamino)styryl]-1-methylpyridinium cation, a benzenesulfonate anion and a solvent water molecule. One ethyl substituent of the diethylamino group of the cation is disordered over two positions in a 0.73789 (9):0.26211 (9) ratio. The cation exists in the E configuration with respect to the C=C bond and the π-conjugated system is essentially planar with a dihedral angle of 0.82 (10)° between the pyridinium and benzene rings. The cation and anion are almost orthogonal with a dihedral angle of 86.71 (10)° between the π-conjugated system of the cation and benzene ring of the anion. In the crystal, molecules are arranged into chains along [001] and adjacent chains are linked by weak C—H⋯O interactions. The crystal is further stablilized by O—H⋯O hydrogen bonds and weak C—H⋯π interactions. International Union of Crystallography 2011-02-09 /pmc/articles/PMC3051968/ /pubmed/21522353 http://dx.doi.org/10.1107/S1600536811004156 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 Kaewmanee, Narissara Chanawanno, Kullapa Chantrapromma, Suchada (E)-2-[4-(Diethylamino)styryl]-1-methylpyridinium benzenesulfonate monohydrate |
title | (E)-2-[4-(Diethylamino)styryl]-1-methylpyridinium benzenesulfonate monohydrate |
title_full | (E)-2-[4-(Diethylamino)styryl]-1-methylpyridinium benzenesulfonate monohydrate |
title_fullStr | (E)-2-[4-(Diethylamino)styryl]-1-methylpyridinium benzenesulfonate monohydrate |
title_full_unstemmed | (E)-2-[4-(Diethylamino)styryl]-1-methylpyridinium benzenesulfonate monohydrate |
title_short | (E)-2-[4-(Diethylamino)styryl]-1-methylpyridinium benzenesulfonate monohydrate |
title_sort | (e)-2-[4-(diethylamino)styryl]-1-methylpyridinium benzenesulfonate monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051968/ https://www.ncbi.nlm.nih.gov/pubmed/21522353 http://dx.doi.org/10.1107/S1600536811004156 |
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