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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...

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Detalles Bibliográficos
Autores principales: de Souza, Marcus V. N., Tiekink, Edward R. T., Wardell, James L., Wardell, Solange M. S. V.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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.
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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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