2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-bromo­benzene­sulfonate monohydrate

In the title compound, C(16)H(18)NO(+)·C(6)H(4)BrO(3)S(−)·H(2)O, the cation exists in an E configuration with respect to the ethenyl bond and is slightly twisted with a dihedral angle of 8.5 (2)° between pyridinium and benzene rings. In the crystal, the cations are arranged in layers parallel to (10...

Descripción completa

Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Chanawanno, Kullapa, Chantrapromma, Suchada
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979781/
https://www.ncbi.nlm.nih.gov/pubmed/21579738
http://dx.doi.org/10.1107/S1600536809055846
_version_ 1782191499734155264
author Fun, Hoong-Kun
Chanawanno, Kullapa
Chantrapromma, Suchada
author_facet Fun, Hoong-Kun
Chanawanno, Kullapa
Chantrapromma, Suchada
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(16)H(18)NO(+)·C(6)H(4)BrO(3)S(−)·H(2)O, the cation exists in an E configuration with respect to the ethenyl bond and is slightly twisted with a dihedral angle of 8.5 (2)° between pyridinium and benzene rings. In the crystal, the cations are arranged in layers parallel to (100), with π–π inter­actions between pyridinium and benzene rings [centroid–centroid distances = 3.651 (3) and 3.613 (3) Å]. The anions and water mol­ecules are located between the cationic layers. The ions and water mol­ecules are linked into a three-dimensional framework by O—H⋯O and C—H⋯O hydrogen bonds.
format Text
id pubmed-2979781
institution National Center for Biotechnology Information
language English
publishDate 2010
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29797812010-12-30 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-bromo­benzene­sulfonate monohydrate Fun, Hoong-Kun Chanawanno, Kullapa Chantrapromma, Suchada Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(18)NO(+)·C(6)H(4)BrO(3)S(−)·H(2)O, the cation exists in an E configuration with respect to the ethenyl bond and is slightly twisted with a dihedral angle of 8.5 (2)° between pyridinium and benzene rings. In the crystal, the cations are arranged in layers parallel to (100), with π–π inter­actions between pyridinium and benzene rings [centroid–centroid distances = 3.651 (3) and 3.613 (3) Å]. The anions and water mol­ecules are located between the cationic layers. The ions and water mol­ecules are linked into a three-dimensional framework by O—H⋯O and C—H⋯O hydrogen bonds. International Union of Crystallography 2010-01-09 /pmc/articles/PMC2979781/ /pubmed/21579738 http://dx.doi.org/10.1107/S1600536809055846 Text en © Fun et al. 2010 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
Chanawanno, Kullapa
Chantrapromma, Suchada
2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-bromo­benzene­sulfonate monohydrate
title 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-bromo­benzene­sulfonate monohydrate
title_full 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-bromo­benzene­sulfonate monohydrate
title_fullStr 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-bromo­benzene­sulfonate monohydrate
title_full_unstemmed 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-bromo­benzene­sulfonate monohydrate
title_short 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-bromo­benzene­sulfonate monohydrate
title_sort 2-[(e)-2-(4-ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-bromo­benzene­sulfonate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979781/
https://www.ncbi.nlm.nih.gov/pubmed/21579738
http://dx.doi.org/10.1107/S1600536809055846
work_keys_str_mv AT funhoongkun 2e24ethoxyphenylethenyl1methylpyridinium4bromobenzenesulfonatemonohydrate
AT chanawannokullapa 2e24ethoxyphenylethenyl1methylpyridinium4bromobenzenesulfonatemonohydrate
AT chantraprommasuchada 2e24ethoxyphenylethenyl1methylpyridinium4bromobenzenesulfonatemonohydrate

Ejemplares similares