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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...

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Detalles Bibliográficos
Autores principales: Gainsford, Graeme J., Bhuiyan, M. Delower H., Kay, Andrew J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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