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Crystal structure of (RS)-4-(3-carb-oxy-1-ethyl-6,8-di-fluoro-4-oxo-1,4-di-hydro-quinolin-7-yl)-2-methyl-piperazin-1-ium 3-carb-oxy-5-fluoro-benzoate.

ABSTRACT: In the title organic salt, C17H20F2N3O3 +·C8H4FO4 -, proton transfer leads to one protonated lomefloxacin mol-ecule (HLf+) and one 3-carb-oxy-5-fluoro-benzoate (5-F-Hip-) anion in the asymmetric unit. The HLf+ cation is bent, with a dihedral angle of 38.3?(1)° between the quinoline ring and the piperazinium moiety. In the crystal, two kinds of N-H?O and O-H?O hydrogen-bonded chains cross-link each other to produce a three-dimensional network structure that is additionally stabilized by weak C-H?O and C-H?F hydrogen bonds, as well as ?-? inter-actions. The methyl group attached to the piperazinium ring is disordered over two sets of sites [refined ratio: 0.645?(5):0.335?(5)], indicating the presence of both enanti-omers of the cation in the structure.

SUBMITTER: Feng S

PROVIDER: S-EPMC6323884 | biostudies-other | 2019 Jan

REPOSITORIES: biostudies-other

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Crystal structure of (RS)-4-(3-carb-oxy-1-ethyl-6,8-di-fluoro-4-oxo-1,4-di-hydro-quinolin-7-yl)-2-methyl-piperazin-1-ium 3-carb-oxy-5-fluoro-benzoate.

Feng Sheng S Zhu Gui-Liang GL Sun Jia-Jia JJ Chen Chen C Zhang Zhi-Hui ZH

Acta crystallographica. Section E, Crystallographic communications 20190101 Pt 1

In the title organic salt, C17H20F2N3O3 +·C8H4FO4 -, proton transfer leads to one protonated lomefloxacin mol-ecule (HLf+) and one 3-carb-oxy-5-fluoro-benzoate (5-F-Hip-) anion in the asymmetric unit. The HLf+ cation is bent, with a dihedral angle of 38.3 (1)° between the quinoline ring and the piperazinium moiety. In the crystal, two kinds of N-H⋯O and O ...[more]

PMID: 30713736

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