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Crystal structure of (RS)-4-(3-carboxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 3-carboxy-5-fluorobenzoate
In the title organic salt, C(17)H(20)F(2)N(3)O(3) (+)·C(8)H(4)FO(4) (−), proton transfer leads to one protonated lomefloxacin molecule (HLf(+)) and one 3-carboxy-5-fluorobenzoate (5-F-Hip(−)) anion in the asymmetric unit. The HLf(+) cation is bent, with a dihedral angle of 38.3 (1)° between the q...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6323884/ https://www.ncbi.nlm.nih.gov/pubmed/30713736 http://dx.doi.org/10.1107/S2056989018016961 |
Sumario: | In the title organic salt, C(17)H(20)F(2)N(3)O(3) (+)·C(8)H(4)FO(4) (−), proton transfer leads to one protonated lomefloxacin molecule (HLf(+)) and one 3-carboxy-5-fluorobenzoate (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 π–π interactions. 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 enantiomers of the cation in the structure. |
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