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Enrofloxacin hydro-chloride dihydrate.

ABSTRACT: The asymmetric unit of the title compound, C19H23FN3O3 (+)·Cl(-)·2H2O [systematic name: 4-(3-carb-oxy-1-cyclo-propyl-6-fluoro-4-oxo-1,4-di-hydro-quin-o-lin-7-yl)-1-ethyl-piperazin-1-ium chloride dihydrate], consists of two independent monocations of the protonated enrofloxacin, two chloride anions and four water mol-ecules. In the cations, the piperazinium rings adopt chair conformations and the dihedral angles between the cyclo-propyl ring and the 10-membered quinoline ring system are 56.55?(2) and 51.11?(2)°. An intra-molecular 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 ?-? inter-action between the benzene rings [centroid-centroid distance = 3.6726?(13)?Å], resulting in a three-dimensional array.

SUBMITTER: Miranda-Calderon JE

PROVIDER: S-EPMC3998605 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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Enrofloxacin hydro-chloride dihydrate.

Miranda-Calderón Jorge E JE Gutiérrez Lilia L Flores-Alamo Marcos M García-Gutiérrez Ponciano P Sumano Héctor H

Acta crystallographica. Section E, Structure reports online 20140326 Pt 4

The asymmetric unit of the title compound, C19H23FN3O3 (+)·Cl(-)·2H2O [systematic name: 4-(3-carb-oxy-1-cyclo-propyl-6-fluoro-4-oxo-1,4-di-hydro-quin-o-lin-7-yl)-1-ethyl-piperazin-1-ium chloride dihydrate], consists of two independent monocations of the protonated enrofloxacin, two chloride anions and four water mol-ecules. In the cations, the piperazinium rings adopt chair conformations and the dihedral angles between the cyclo-propyl ring and the 10-membered quinoline ring system are 56.55 (2) ...[more]

PMID: 24826167

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