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1-Methyl-4-[(1E,3E)-4-phenyl­buta-1,3-dien­yl]pyridinium iodide monohydrate

The asymmetric unit of the title compound, C(16)H(16)N(+)·I(−)·H(2)O, contains two 1-methyl-4-{[(1E,3E)-4-phenyl­buta-1,3-dien­yl]}pyridinium cations, two iodide ions and two solvent water mol­ecules. The cation is twisted slightly, the dihedral angle between the pyridinium and the phenyl rings bein...

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Autores principales: Fun, Hoong-Kun, Chanawanno, Kullapa, Surasit, Chanasuk, Chantrapromma, Suchada
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983716/
https://www.ncbi.nlm.nih.gov/pubmed/21580404
http://dx.doi.org/10.1107/S1600536810006045
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author Fun, Hoong-Kun
Chanawanno, Kullapa
Surasit, Chanasuk
Chantrapromma, Suchada
author_facet Fun, Hoong-Kun
Chanawanno, Kullapa
Surasit, Chanasuk
Chantrapromma, Suchada
author_sort Fun, Hoong-Kun
collection PubMed
description The asymmetric unit of the title compound, C(16)H(16)N(+)·I(−)·H(2)O, contains two 1-methyl-4-{[(1E,3E)-4-phenyl­buta-1,3-dien­yl]}pyridinium cations, two iodide ions and two solvent water mol­ecules. The cation is twisted slightly, the dihedral angle between the pyridinium and the phenyl rings being 10.68 (18)° in one mol­ecule and 18.9 (3)° in the other. The two water mol­ecules are disordered over three positions with site-occupancy ratio of 0.9/0.7/0.4. In the crystal packing, the cations are arranged into ribbons along the b axis with the iodide ions and water mol­ecules located between adjacent cations. The cations are linked to the iodide ions and water mol­ecules by weak C—H⋯I and C—H⋯O inter­actions, respectively. These inter­actions together with O—H⋯I hydrogen bonds link the mol­ecules into a two-dimensional network parallel to the bc plane. π⋯π inter­actions with a centroid–centroid distance of 3.669 (2) Å are also observed.
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spelling pubmed-29837162010-12-30 1-Methyl-4-[(1E,3E)-4-phenyl­buta-1,3-dien­yl]pyridinium iodide monohydrate Fun, Hoong-Kun Chanawanno, Kullapa Surasit, Chanasuk Chantrapromma, Suchada Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(16)H(16)N(+)·I(−)·H(2)O, contains two 1-methyl-4-{[(1E,3E)-4-phenyl­buta-1,3-dien­yl]}pyridinium cations, two iodide ions and two solvent water mol­ecules. The cation is twisted slightly, the dihedral angle between the pyridinium and the phenyl rings being 10.68 (18)° in one mol­ecule and 18.9 (3)° in the other. The two water mol­ecules are disordered over three positions with site-occupancy ratio of 0.9/0.7/0.4. In the crystal packing, the cations are arranged into ribbons along the b axis with the iodide ions and water mol­ecules located between adjacent cations. The cations are linked to the iodide ions and water mol­ecules by weak C—H⋯I and C—H⋯O inter­actions, respectively. These inter­actions together with O—H⋯I hydrogen bonds link the mol­ecules into a two-dimensional network parallel to the bc plane. π⋯π inter­actions with a centroid–centroid distance of 3.669 (2) Å are also observed. International Union of Crystallography 2010-02-20 /pmc/articles/PMC2983716/ /pubmed/21580404 http://dx.doi.org/10.1107/S1600536810006045 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
Surasit, Chanasuk
Chantrapromma, Suchada
1-Methyl-4-[(1E,3E)-4-phenyl­buta-1,3-dien­yl]pyridinium iodide monohydrate
title 1-Methyl-4-[(1E,3E)-4-phenyl­buta-1,3-dien­yl]pyridinium iodide monohydrate
title_full 1-Methyl-4-[(1E,3E)-4-phenyl­buta-1,3-dien­yl]pyridinium iodide monohydrate
title_fullStr 1-Methyl-4-[(1E,3E)-4-phenyl­buta-1,3-dien­yl]pyridinium iodide monohydrate
title_full_unstemmed 1-Methyl-4-[(1E,3E)-4-phenyl­buta-1,3-dien­yl]pyridinium iodide monohydrate
title_short 1-Methyl-4-[(1E,3E)-4-phenyl­buta-1,3-dien­yl]pyridinium iodide monohydrate
title_sort 1-methyl-4-[(1e,3e)-4-phenyl­buta-1,3-dien­yl]pyridinium iodide monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983716/
https://www.ncbi.nlm.nih.gov/pubmed/21580404
http://dx.doi.org/10.1107/S1600536810006045
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