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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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. |
format | Online Article Text |
id | pubmed-3998605 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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