Information card for entry 4508826

Structure parameters

• Common name: norfloxacin.isonicotinamide.CHCL3
• Chemical name: norfloxacin.isonicotinamide.CHCL3
• Formula: C23 H25 Cl3 F N5 O4
• Calculated formula: C23 H25 Cl3 F N5 O4
• SMILES: ClC(Cl)Cl.Fc1c(cc2n(cc(c(=O)c2c1)C(=O)[O-])CC)N1CC[NH2+]CC1.O=C(c1ccncc1)N
• Title of publication: Pharmaceutical Cocrystal and Salts of Norfloxacin
• Authors of publication: Basavoju, Srinivas; Boström, Dan; Velaga, Sitaram P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 2699
• a: 18.8749 ± 0.0007 Å
• b: 14.6353 ± 0.0006 Å
• c: 18.4094 ± 0.0004 Å
• α: 90°
• β: 98.432 ± 0.002°
• γ: 90°
• Cell volume: 5030.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1616
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.2582
• Weighted residual factors for all reflections included in the refinement: 0.3039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No