Information card for entry 7216618

Structure parameters

• Common name: Ciprofloxacin diflunisal salt
• Formula: C30 H26 F3 N3 O6
• Calculated formula: C30 H26 F3 N3 O6
• SMILES: c12cc(c(cc1c(=O)c(cn2C1CC1)C(=O)O)F)N1CC[NH2+]CC1.c1(c2ccc(cc2F)F)cc(C(=O)[O-])c(cc1)O
• Title of publication: Drug‒drug salt forms of ciprofloxacin with diflunisal and indoprofen
• Authors of publication: Bag, Partha Pratim; Ghosh, Soumyajit; Khan, Hamza; Devarapalli, Ramesh; Malla Reddy, C.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 7393
• a: 7.116 ± 0.002 Å
• b: 9.994 ± 0.004 Å
• c: 19.147 ± 0.007 Å
• α: 81.47 ± 0.009°
• β: 82.505 ± 0.008°
• γ: 87.191 ± 0.008°
• Cell volume: 1334.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0822
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No