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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-2983716 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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
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title_full | 1-Methyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyridinium iodide monohydrate
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title_fullStr | 1-Methyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyridinium iodide monohydrate
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title_full_unstemmed | 1-Methyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyridinium iodide monohydrate
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title_short | 1-Methyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyridinium iodide monohydrate
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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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