Information card for entry 2023543

Structure parameters

• Common name: Levofloxacinium 4-methylbenzoate
• Chemical name: 4-{11-Carboxy-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}^]trideca-5,7,9(13),11-tetraen-6-yl}-1-methylpiperazin-1-ium 4-methylbenzoate
• Formula: C26 H28 F N3 O6
• Calculated formula: C26 H28 F N3 O6
• Title of publication: Crystal structure and Hirshfeld surface analysis of anhydrous salt of levofloxacin and 4-methylbenzoic acid
• Authors of publication: Patel, Bhumi C.; Modi, Krunal M.; Reddy, J. Prakasha
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 12
• Pages of publication: 1149 - 1152
• a: 7.1788 ± 0.001 Å
• b: 13.0274 ± 0.0013 Å
• c: 25.979 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2429.6 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1617
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes