Information card for entry 7125078

Structure parameters

• Common name: Sparfloxacin-ethyl paraben cocrystal
• Chemical name: 5-Amino-1-cyclopropyl-7-[(3R,5S)3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid-ethyl 4-hydroxy benzoate
• Formula: C28 H32 F2 N4 O6
• Calculated formula: C28 H32 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: 9.5457 ± 0.0005 Å
• b: 12.8769 ± 0.0006 Å
• c: 13.338 ± 0.0007 Å
• α: 62.8916 ± 0.0014°
• β: 71.3599 ± 0.0016°
• γ: 77.1301 ± 0.0016°
• Cell volume: 1377.05 ± 0.12 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: 0.0855
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No