(S,S,S,S)-Nebivolol hydro­chloride hemihydrate

The asymmetric unit of the title hydrated salt, C(22)H(26)F(2)NO(4) (+)·Cl(−)·0.5H(2)O, consists of an (S,S,S,S)-nebivolol {nebivol = bis­[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hy­droxy­eth­yl]ammonium} cation, a chloride anion and a half-occupancy water mol­ecule. The dihedral angle betwe...

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Detalles Bibliográficos
Autores principales: Rousselin, Yoann, Bruel, Amelie, Clavel, Alexandre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588952/
https://www.ncbi.nlm.nih.gov/pubmed/23476188
http://dx.doi.org/10.1107/S1600536812045813
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author Rousselin, Yoann
Bruel, Amelie
Clavel, Alexandre
author_facet Rousselin, Yoann
Bruel, Amelie
Clavel, Alexandre
author_sort Rousselin, Yoann
collection PubMed
description The asymmetric unit of the title hydrated salt, C(22)H(26)F(2)NO(4) (+)·Cl(−)·0.5H(2)O, consists of an (S,S,S,S)-nebivolol {nebivol = bis­[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hy­droxy­eth­yl]ammonium} cation, a chloride anion and a half-occupancy water mol­ecule. The dihedral angle between the mean planes of the benzene rings is 50.34 (12)°. The pyran rings adopt half-chair conformations. The crystal packing features O—H⋯O hydrogen bonds and weak N—H⋯Cl, O—H⋯Cl, and O—H⋯Cl inter­actions, producing layers along (010).
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spelling pubmed-35889522013-03-08 (S,S,S,S)-Nebivolol hydro­chloride hemihydrate Rousselin, Yoann Bruel, Amelie Clavel, Alexandre Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title hydrated salt, C(22)H(26)F(2)NO(4) (+)·Cl(−)·0.5H(2)O, consists of an (S,S,S,S)-nebivolol {nebivol = bis­[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hy­droxy­eth­yl]ammonium} cation, a chloride anion and a half-occupancy water mol­ecule. The dihedral angle between the mean planes of the benzene rings is 50.34 (12)°. The pyran rings adopt half-chair conformations. The crystal packing features O—H⋯O hydrogen bonds and weak N—H⋯Cl, O—H⋯Cl, and O—H⋯Cl inter­actions, producing layers along (010). International Union of Crystallography 2012-11-14 /pmc/articles/PMC3588952/ /pubmed/23476188 http://dx.doi.org/10.1107/S1600536812045813 Text en © Rousselin et al. 2012 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
Rousselin, Yoann
Bruel, Amelie
Clavel, Alexandre
(S,S,S,S)-Nebivolol hydro­chloride hemihydrate
title (S,S,S,S)-Nebivolol hydro­chloride hemihydrate
title_full (S,S,S,S)-Nebivolol hydro­chloride hemihydrate
title_fullStr (S,S,S,S)-Nebivolol hydro­chloride hemihydrate
title_full_unstemmed (S,S,S,S)-Nebivolol hydro­chloride hemihydrate
title_short (S,S,S,S)-Nebivolol hydro­chloride hemihydrate
title_sort (s,s,s,s)-nebivolol hydro­chloride hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588952/
https://www.ncbi.nlm.nih.gov/pubmed/23476188
http://dx.doi.org/10.1107/S1600536812045813
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