Information card for entry 7125079

Structure parameters

• Common name: Sparfloxacin-Isobutylparaben corystal
• Chemical name: 5-Amino-1-cyclopropyl-7-[(3R,5S)3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid-4-hydroxy-isobutylbenzoate
• Formula: C30 H36 F2 N4 O6
• Calculated formula: C30 H36 F2 N4 O6
• Title of publication: Crystal engineering of a zwitterionic drug to neutral cocrystals: a general solution for floxacins.
• Authors of publication: Gunnam, Anilkumar; Suresh, Kuthuru; Ganduri, Ramesh; Nangia, Ashwini
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 85
• Pages of publication: 12610 - 12613
• a: 9.5693 ± 0.0007 Å
• b: 9.7134 ± 0.0007 Å
• c: 17.7964 ± 0.0012 Å
• α: 74.767 ± 0.003°
• β: 76.025 ± 0.003°
• γ: 69.597 ± 0.003°
• Cell volume: 1475.24 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1481
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No