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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...

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Autores principales: Qian, Jing-Jing, Gu, Jian-Ming, Shen, Jin, Hu, Xiu-Rong, Wu, Su-Xiang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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