Information card for entry 7057593

Structure parameters

• Common name: 5-Fluorocytosine; 5-Flucytosine; 5-FC; 5FC-CA
• Chemical name: 5-Fluorocytosine caprylic acid cocrystal
• Formula: C12 H20 F N3 O3
• Calculated formula: C12 H20 F N3 O3
• Title of publication: Avoiding irreversible 5-fluorocytosine hydration via supramolecular synthesis of pharmaceutical cocrystals
• Authors of publication: Souza, Matheus S.; Diniz, Luan F.; Vogt, Lautaro; Carvalho, Paulo S.; D’vries, Richard F.; Ellena, Javier
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 14994
• a: 5.2617 ± 0.0008 Å
• b: 8.7066 ± 0.0014 Å
• c: 15.71 ± 0.002 Å
• α: 81.892 ± 0.003°
• β: 85.884 ± 0.003°
• γ: 84.46 ± 0.003°
• Cell volume: 707.94 ± 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: 0.0865
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No