Information card for entry 4507626

Structure parameters

• Formula: C19 H31 F N4 O6
• Calculated formula: C19 H31 F N4 O6
• SMILES: c1(c(cc2c(=O)c(cn(c2c1)C1CC1)C(=O)[O-])F)N1CCN(CC1)CC.[NH4+].O.O.O
• Title of publication: Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability
• Authors of publication: Karanam, Maheswararao; Choudhury, Angshuman Roy
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1626
• a: 8.7779 ± 0.0003 Å
• b: 9.8015 ± 0.0004 Å
• c: 12.8782 ± 0.0004 Å
• α: 106.472 ± 0.002°
• β: 90.408 ± 0.002°
• γ: 91.071 ± 0.002°
• Cell volume: 1062.25 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No