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Moxifloxacinium chloride monohydrate
The title compound {systematic name: 7-[(1S,6S)-8-aza-2-azoniabicyclo[4.3.0]non-8-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid chloride monohydrate}, C(21)H(25)FN(3)O(4) (+)·Cl(−)·H(2)O, crystallizes with two moxifloxacinium cations, two chloride ions an...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201314/ https://www.ncbi.nlm.nih.gov/pubmed/22058817 http://dx.doi.org/10.1107/S160053681103707X |
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author | Qian, Jing-Jing Gu, Jian-Ming Shen, Jin Hu, Xiu-Rong Wu, Su-Xiang |
author_facet | Qian, Jing-Jing Gu, Jian-Ming Shen, Jin Hu, Xiu-Rong Wu, Su-Xiang |
author_sort | Qian, Jing-Jing |
collection | PubMed |
description | The title compound {systematic name: 7-[(1S,6S)-8-aza-2-azoniabicyclo[4.3.0]non-8-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid chloride monohydrate}, C(21)H(25)FN(3)O(4) (+)·Cl(−)·H(2)O, crystallizes with two moxifloxacinium cations, two chloride ions and two uncoordinated water molecules in the unit cell. The crystal structure has a pseudo-inversion center except for the chloride ions. In both moxifloxacinium cations, the quinoline rings are approximately planar, the maximum atomic deviations being 0.107 (3) and 0.118 (3) Å. The piperidine rings adopt a chair conformation while the pyrrolidine rings display a half-chair conformation. In the crystal, the carboxyl groups, the protonated piperidyl groups, the uncoordinated water molecule and chloride anions participate in O—H⋯O, O—H⋯Cl and N—H⋯Cl hydrogen bonding; weak intermolecular C—H⋯O and C—H⋯Cl hydrogen bonding is also present in the crystal structure. |
format | Online Article Text |
id | pubmed-3201314 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32013142011-11-06 Moxifloxacinium chloride monohydrate Qian, Jing-Jing Gu, Jian-Ming Shen, Jin Hu, Xiu-Rong Wu, Su-Xiang Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound {systematic name: 7-[(1S,6S)-8-aza-2-azoniabicyclo[4.3.0]non-8-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid chloride monohydrate}, C(21)H(25)FN(3)O(4) (+)·Cl(−)·H(2)O, crystallizes with two moxifloxacinium cations, two chloride ions and two uncoordinated water molecules in the unit cell. The crystal structure has a pseudo-inversion center except for the chloride ions. In both moxifloxacinium cations, the quinoline rings are approximately planar, the maximum atomic deviations being 0.107 (3) and 0.118 (3) Å. The piperidine rings adopt a chair conformation while the pyrrolidine rings display a half-chair conformation. In the crystal, the carboxyl groups, the protonated piperidyl groups, the uncoordinated water molecule and chloride anions participate in O—H⋯O, O—H⋯Cl and N—H⋯Cl hydrogen bonding; weak intermolecular C—H⋯O and C—H⋯Cl hydrogen bonding is also present in the crystal structure. International Union of Crystallography 2011-09-30 /pmc/articles/PMC3201314/ /pubmed/22058817 http://dx.doi.org/10.1107/S160053681103707X Text en © Qian et al. 2011 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 Qian, Jing-Jing Gu, Jian-Ming Shen, Jin Hu, Xiu-Rong Wu, Su-Xiang Moxifloxacinium chloride monohydrate |
title | Moxifloxacinium chloride monohydrate |
title_full | Moxifloxacinium chloride monohydrate |
title_fullStr | Moxifloxacinium chloride monohydrate |
title_full_unstemmed | Moxifloxacinium chloride monohydrate |
title_short | Moxifloxacinium chloride monohydrate |
title_sort | moxifloxacinium chloride monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201314/ https://www.ncbi.nlm.nih.gov/pubmed/22058817 http://dx.doi.org/10.1107/S160053681103707X |
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