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Quinine di­hydro­chloride hemihydrate

Numerous non-covalent inter­actions link together discrete mol­ecules in the crystal structure of the title compound, 2C(20)H(26)N(2)O(2) (2+)·4Cl(−)·H(2)O {systematic name: 4-[(5-ethenyl-1-azonia­bicyclo­[2.2.2]octan-2-yl)(hy­droxy)meth­yl]-6-meth­oxy­quinolin-1-ium dichloride hemihydrate}. A combi...

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Autores principales: Anderson, Grace I., Bellia, Sophia, Zeller, Matthias, Hillesheim, Patrick C., Mirjafari, Arsalan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462324/
https://www.ncbi.nlm.nih.gov/pubmed/36339104
http://dx.doi.org/10.1107/S2414314621004065
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author Anderson, Grace I.
Bellia, Sophia
Zeller, Matthias
Hillesheim, Patrick C.
Mirjafari, Arsalan
author_facet Anderson, Grace I.
Bellia, Sophia
Zeller, Matthias
Hillesheim, Patrick C.
Mirjafari, Arsalan
author_sort Anderson, Grace I.
collection PubMed
description Numerous non-covalent inter­actions link together discrete mol­ecules in the crystal structure of the title compound, 2C(20)H(26)N(2)O(2) (2+)·4Cl(−)·H(2)O {systematic name: 4-[(5-ethenyl-1-azonia­bicyclo­[2.2.2]octan-2-yl)(hy­droxy)meth­yl]-6-meth­oxy­quinolin-1-ium dichloride hemihydrate}. A combination of hydrogen bonding between acidic H atoms and the anions in the asymmetric unit forms a portion of the observed hydrogen-bonded network. π–π inter­actions between the aromatic portions of the cation appear to play a role in the formation of the long-range ordering. One ethyl­ene double bond was found to be disordered. The disorder extends to the neighboring carbon and hydrogen atoms. [Image: see text]
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spelling pubmed-94623242022-11-04 Quinine di­hydro­chloride hemihydrate Anderson, Grace I. Bellia, Sophia Zeller, Matthias Hillesheim, Patrick C. Mirjafari, Arsalan IUCrdata Data Reports Numerous non-covalent inter­actions link together discrete mol­ecules in the crystal structure of the title compound, 2C(20)H(26)N(2)O(2) (2+)·4Cl(−)·H(2)O {systematic name: 4-[(5-ethenyl-1-azonia­bicyclo­[2.2.2]octan-2-yl)(hy­droxy)meth­yl]-6-meth­oxy­quinolin-1-ium dichloride hemihydrate}. A combination of hydrogen bonding between acidic H atoms and the anions in the asymmetric unit forms a portion of the observed hydrogen-bonded network. π–π inter­actions between the aromatic portions of the cation appear to play a role in the formation of the long-range ordering. One ethyl­ene double bond was found to be disordered. The disorder extends to the neighboring carbon and hydrogen atoms. [Image: see text] International Union of Crystallography 2021-04-23 /pmc/articles/PMC9462324/ /pubmed/36339104 http://dx.doi.org/10.1107/S2414314621004065 Text en © Anderson et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Anderson, Grace I.
Bellia, Sophia
Zeller, Matthias
Hillesheim, Patrick C.
Mirjafari, Arsalan
Quinine di­hydro­chloride hemihydrate
title Quinine di­hydro­chloride hemihydrate
title_full Quinine di­hydro­chloride hemihydrate
title_fullStr Quinine di­hydro­chloride hemihydrate
title_full_unstemmed Quinine di­hydro­chloride hemihydrate
title_short Quinine di­hydro­chloride hemihydrate
title_sort quinine di­hydro­chloride hemihydrate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462324/
https://www.ncbi.nlm.nih.gov/pubmed/36339104
http://dx.doi.org/10.1107/S2414314621004065
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