Information card for entry 4502705

Structure parameters

• Common name: ANHYDROUS CIPROFLOXACIN
• Formula: C17 H18 F N3 O3
• Calculated formula: C17 H18 F N3 O3
• SMILES: Fc1c(N2CCNCC2)cc2n(cc(c(=O)c2c1)C(=O)O)C1CC1
• Title of publication: A Device to Crystallize Organic Solids: Structure of Ciprofloxacin, Midazolam, and Ofloxacin as Targets
• Authors of publication: Mahapatra, Sudarshan; Venugopala, K. N.; Guru Row, Tayur N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1866
• a: 8.0622 ± 0.0015 Å
• b: 9.73 ± 0.002 Å
• c: 10.3214 ± 0.0019 Å
• α: 99.927 ± 0.017°
• β: 104.541 ± 0.017°
• γ: 98.073 ± 0.017°
• Cell volume: 757.5 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2912
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.78
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No