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1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride
The title compound, C(18)H(23)N(2)O(2) (+)·Cl(−), crystallizes with two independent cations and anions per cell. Each cation has twofold rotational disorder about the linking vinyl groups but with unequal occupancies [0.963 (5):0.037 (5) and 0.860 (8):0.140 (8)]. The two independent cations are clos...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914108/ https://www.ncbi.nlm.nih.gov/pubmed/24527014 http://dx.doi.org/10.1107/S1600536813033254 |
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author | Gainsford, Graeme J. Bhuiyan, M. Delower H. Kay, Andrew J. |
author_facet | Gainsford, Graeme J. Bhuiyan, M. Delower H. Kay, Andrew J. |
author_sort | Gainsford, Graeme J. |
collection | PubMed |
description | The title compound, C(18)H(23)N(2)O(2) (+)·Cl(−), crystallizes with two independent cations and anions per cell. Each cation has twofold rotational disorder about the linking vinyl groups but with unequal occupancies [0.963 (5):0.037 (5) and 0.860 (8):0.140 (8)]. The two independent cations are close to being related by an inversion centre but the data does not support the expected centrosymmetric space-group assignment. The conclusion is that the differing rotational disorder has lead to an overall non-centrosymmetric lattice. In the crystal, the molecules pack in layers parallel to (133) and (-13-3), chain-linked with motif C (1) (2)(7) by the dihydroxypropyl O–H⋯Cl⋯H–O hydrogen bonds. Other lattice binding is provided by O—H⋯Cl, C—H⋯Cl and C—H⋯N interactions. |
format | Online Article Text |
id | pubmed-3914108 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39141082014-02-13 1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride Gainsford, Graeme J. Bhuiyan, M. Delower H. Kay, Andrew J. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(18)H(23)N(2)O(2) (+)·Cl(−), crystallizes with two independent cations and anions per cell. Each cation has twofold rotational disorder about the linking vinyl groups but with unequal occupancies [0.963 (5):0.037 (5) and 0.860 (8):0.140 (8)]. The two independent cations are close to being related by an inversion centre but the data does not support the expected centrosymmetric space-group assignment. The conclusion is that the differing rotational disorder has lead to an overall non-centrosymmetric lattice. In the crystal, the molecules pack in layers parallel to (133) and (-13-3), chain-linked with motif C (1) (2)(7) by the dihydroxypropyl O–H⋯Cl⋯H–O hydrogen bonds. Other lattice binding is provided by O—H⋯Cl, C—H⋯Cl and C—H⋯N interactions. International Union of Crystallography 2013-12-21 /pmc/articles/PMC3914108/ /pubmed/24527014 http://dx.doi.org/10.1107/S1600536813033254 Text en © Gainsford et al. 2014 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 Gainsford, Graeme J. Bhuiyan, M. Delower H. Kay, Andrew J. 1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride |
title | 1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride |
title_full | 1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride |
title_fullStr | 1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride |
title_full_unstemmed | 1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride |
title_short | 1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride |
title_sort | 1-(2,3-dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914108/ https://www.ncbi.nlm.nih.gov/pubmed/24527014 http://dx.doi.org/10.1107/S1600536813033254 |
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