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Enrofloxacin hydro­chloride dihydrate

The asymmetric unit of the title compound, C(19)H(23)FN(3)O(3) (+)·Cl(−)·2H(2)O [systematic name: 4-(3-carb­oxy-1-cyclo­propyl-6-fluoro-4-oxo-1,4-di­hydro­quin­o­lin-7-yl)-1-ethyl­piperazin-1-ium chloride dihydrate], consists of two independent monocations of the protonated enrofloxacin, two chlorid...

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Autores principales: Miranda-Calderón, Jorge E., Gutiérrez, Lilia, Flores-Alamo, Marcos, García-Gutiérrez, Ponciano, Sumano, Héctor
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998605/
https://www.ncbi.nlm.nih.gov/pubmed/24826167
http://dx.doi.org/10.1107/S1600536814006059
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author Miranda-Calderón, Jorge E.
Gutiérrez, Lilia
Flores-Alamo, Marcos
García-Gutiérrez, Ponciano
Sumano, Héctor
author_facet Miranda-Calderón, Jorge E.
Gutiérrez, Lilia
Flores-Alamo, Marcos
García-Gutiérrez, Ponciano
Sumano, Héctor
author_sort Miranda-Calderón, Jorge E.
collection PubMed
description The asymmetric unit of the title compound, C(19)H(23)FN(3)O(3) (+)·Cl(−)·2H(2)O [systematic name: 4-(3-carb­oxy-1-cyclo­propyl-6-fluoro-4-oxo-1,4-di­hydro­quin­o­lin-7-yl)-1-ethyl­piperazin-1-ium chloride dihydrate], consists of two independent monocations of the protonated enrofloxacin, two chloride anions and four water mol­ecules. In the cations, the piperazinium rings adopt chair conformations and the dihedral angles between the cyclo­propyl ring and the 10-membered quinoline ring system are 56.55 (2) and 51.11 (2)°. An intra­molecular O—H⋯O hydrogen bond is observed in each cation. In the crystal, the components are connected via O—H⋯Cl, N—H⋯Cl and O—H⋯O hydrogen bonds, and a π–π inter­action between the benzene rings [centroid–centroid distance = 3.6726 (13) Å], resulting in a three-dimensional array.
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spelling pubmed-39986052014-05-13 Enrofloxacin hydro­chloride dihydrate Miranda-Calderón, Jorge E. Gutiérrez, Lilia Flores-Alamo, Marcos García-Gutiérrez, Ponciano Sumano, Héctor Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(19)H(23)FN(3)O(3) (+)·Cl(−)·2H(2)O [systematic name: 4-(3-carb­oxy-1-cyclo­propyl-6-fluoro-4-oxo-1,4-di­hydro­quin­o­lin-7-yl)-1-ethyl­piperazin-1-ium chloride dihydrate], consists of two independent monocations of the protonated enrofloxacin, two chloride anions and four water mol­ecules. In the cations, the piperazinium rings adopt chair conformations and the dihedral angles between the cyclo­propyl ring and the 10-membered quinoline ring system are 56.55 (2) and 51.11 (2)°. An intra­molecular O—H⋯O hydrogen bond is observed in each cation. In the crystal, the components are connected via O—H⋯Cl, N—H⋯Cl and O—H⋯O hydrogen bonds, and a π–π inter­action between the benzene rings [centroid–centroid distance = 3.6726 (13) Å], resulting in a three-dimensional array. International Union of Crystallography 2014-03-26 /pmc/articles/PMC3998605/ /pubmed/24826167 http://dx.doi.org/10.1107/S1600536814006059 Text en © Miranda-Calderón et al. 2014 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
Miranda-Calderón, Jorge E.
Gutiérrez, Lilia
Flores-Alamo, Marcos
García-Gutiérrez, Ponciano
Sumano, Héctor
Enrofloxacin hydro­chloride dihydrate
title Enrofloxacin hydro­chloride dihydrate
title_full Enrofloxacin hydro­chloride dihydrate
title_fullStr Enrofloxacin hydro­chloride dihydrate
title_full_unstemmed Enrofloxacin hydro­chloride dihydrate
title_short Enrofloxacin hydro­chloride dihydrate
title_sort enrofloxacin hydro­chloride dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998605/
https://www.ncbi.nlm.nih.gov/pubmed/24826167
http://dx.doi.org/10.1107/S1600536814006059
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