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4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate
In the title salt hydrate, C(11)H(12)ClN(2) (+)·Cl(−)·H(2)O, the quinolinium core is essentially planar (r.m.s. deviation = 0.027 Å) with the chloroethyl side chain being almost orthogonal to the core [C—N—C—C torsion angle = −80.0 (3)°]. In the crystal packing, the water molecule bridges three s...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971810/ https://www.ncbi.nlm.nih.gov/pubmed/21578845 http://dx.doi.org/10.1107/S160053680904834X |
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author | de Souza, Marcus V. N. Tiekink, Edward R. T. Wardell, James L. Wardell, Solange M. S. V. |
author_facet | de Souza, Marcus V. N. Tiekink, Edward R. T. Wardell, James L. Wardell, Solange M. S. V. |
author_sort | de Souza, Marcus V. N. |
collection | PubMed |
description | In the title salt hydrate, C(11)H(12)ClN(2) (+)·Cl(−)·H(2)O, the quinolinium core is essentially planar (r.m.s. deviation = 0.027 Å) with the chloroethyl side chain being almost orthogonal to the core [C—N—C—C torsion angle = −80.0 (3)°]. In the crystal packing, the water molecule bridges three species, forming donor interactions to two chloride anions and accepting a hydrogen bond from the quinolinium H atom. The chloride anion accepts a hydrogen bond from the amine N atom with the result that a two-dimensional supramolecular array is formed in the ac plane. A C—H⋯Cl interaction also occurs. |
format | Text |
id | pubmed-2971810 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29718102010-12-30 4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate de Souza, Marcus V. N. Tiekink, Edward R. T. Wardell, James L. Wardell, Solange M. S. V. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt hydrate, C(11)H(12)ClN(2) (+)·Cl(−)·H(2)O, the quinolinium core is essentially planar (r.m.s. deviation = 0.027 Å) with the chloroethyl side chain being almost orthogonal to the core [C—N—C—C torsion angle = −80.0 (3)°]. In the crystal packing, the water molecule bridges three species, forming donor interactions to two chloride anions and accepting a hydrogen bond from the quinolinium H atom. The chloride anion accepts a hydrogen bond from the amine N atom with the result that a two-dimensional supramolecular array is formed in the ac plane. A C—H⋯Cl interaction also occurs. International Union of Crystallography 2009-11-21 /pmc/articles/PMC2971810/ /pubmed/21578845 http://dx.doi.org/10.1107/S160053680904834X Text en © Souza et al. 2009 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 de Souza, Marcus V. N. Tiekink, Edward R. T. Wardell, James L. Wardell, Solange M. S. V. 4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate |
title | 4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate |
title_full | 4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate |
title_fullStr | 4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate |
title_full_unstemmed | 4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate |
title_short | 4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate |
title_sort | 4-[(2-chloroethyl)amino]quinolinium chloride monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971810/ https://www.ncbi.nlm.nih.gov/pubmed/21578845 http://dx.doi.org/10.1107/S160053680904834X |
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