Information card for entry 7125077

Structure parameters

• Common name: Sparfloxacin-Propylparaben cocrystal
• 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-propylbenzoate
• Formula: C29 H34 F2 N4 O6
• Calculated formula: C29 H34 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: 7.9588 ± 0.0004 Å
• b: 10.3333 ± 0.0005 Å
• c: 17.8484 ± 0.0009 Å
• α: 80.749 ± 0.004°
• β: 87.489 ± 0.004°
• γ: 72.019 ± 0.005°
• Cell volume: 1377.99 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1212
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No