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

In the title compound, C(16)H(18)NO(+)·I(−)·H(2)O, the cation is essentially planar, with a dihedral angle of 3.13 (16)° between the pyridinium and benzene rings. The mol­ecule adopts an E configuration with respect to the alkene double bond. In the crystal structure, the cations are packed in an an...

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Autores principales: Laksana, Chotika, Ruanwas, Pumsak, Chantrapromma, Suchada, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2007
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915214/
https://www.ncbi.nlm.nih.gov/pubmed/21200710
http://dx.doi.org/10.1107/S1600536807061375
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author Laksana, Chotika
Ruanwas, Pumsak
Chantrapromma, Suchada
Fun, Hoong-Kun
author_facet Laksana, Chotika
Ruanwas, Pumsak
Chantrapromma, Suchada
Fun, Hoong-Kun
author_sort Laksana, Chotika
collection PubMed
description In the title compound, C(16)H(18)NO(+)·I(−)·H(2)O, the cation is essentially planar, with a dihedral angle of 3.13 (16)° between the pyridinium and benzene rings. The mol­ecule adopts an E configuration with respect to the alkene double bond. In the crystal structure, the cations are packed in an anti-­parallel manner through π–π inter­actions between adjacent pyridinium and benzene rings along the a axis, with centroid-to-centroid distances of 3.615 (2) and 3.630 (2) Å. Water mol­ecules bind the iodide ions through O—H⋯I hydrogen bonds into layers. These layers link with the cations through weak C—H⋯O and C—H⋯I inter­actions.
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spelling pubmed-29152142010-12-30 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium iodide monohydrate Laksana, Chotika Ruanwas, Pumsak Chantrapromma, Suchada Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(18)NO(+)·I(−)·H(2)O, the cation is essentially planar, with a dihedral angle of 3.13 (16)° between the pyridinium and benzene rings. The mol­ecule adopts an E configuration with respect to the alkene double bond. In the crystal structure, the cations are packed in an anti-­parallel manner through π–π inter­actions between adjacent pyridinium and benzene rings along the a axis, with centroid-to-centroid distances of 3.615 (2) and 3.630 (2) Å. Water mol­ecules bind the iodide ions through O—H⋯I hydrogen bonds into layers. These layers link with the cations through weak C—H⋯O and C—H⋯I inter­actions. International Union of Crystallography 2007-12-06 /pmc/articles/PMC2915214/ /pubmed/21200710 http://dx.doi.org/10.1107/S1600536807061375 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.
spellingShingle Organic Papers
Laksana, Chotika
Ruanwas, Pumsak
Chantrapromma, Suchada
Fun, Hoong-Kun
2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium iodide monohydrate
title 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium iodide monohydrate
title_full 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium iodide monohydrate
title_fullStr 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium iodide monohydrate
title_full_unstemmed 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium iodide monohydrate
title_short 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium iodide monohydrate
title_sort 2-[(e)-2-(4-ethoxy­phen­yl)ethen­yl]-1-methyl­pyridinium iodide monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915214/
https://www.ncbi.nlm.nih.gov/pubmed/21200710
http://dx.doi.org/10.1107/S1600536807061375
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AT ruanwaspumsak 2e24ethoxyphenylethenyl1methylpyridiniumiodidemonohydrate
AT chantraprommasuchada 2e24ethoxyphenylethenyl1methylpyridiniumiodidemonohydrate
AT funhoongkun 2e24ethoxyphenylethenyl1methylpyridiniumiodidemonohydrate

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