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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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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] |
format | Online Article Text |
id | pubmed-9462324 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT andersongracei quininedihydrochloridehemihydrate AT belliasophia quininedihydrochloridehemihydrate AT zellermatthias quininedihydrochloridehemihydrate AT hillesheimpatrickc quininedihydrochloridehemihydrate AT mirjafariarsalan quininedihydrochloridehemihydrate |