Information card for entry 7057592

Structure parameters

• Common name: 5-Fluorocytosine; 5-Flucytosine; 5-FC; 5FC-PABA
• Chemical name: 5-Fluorocytosine p-aminobenzoic acid cocrystal
• Formula: C11 H11 F N4 O3
• Calculated formula: C11 H11 F N4 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: 4.8695 ± 0.0003 Å
• b: 24.4911 ± 0.0016 Å
• c: 9.8792 ± 0.0006 Å
• α: 90°
• β: 97.567 ± 0.006°
• γ: 90°
• Cell volume: 1167.93 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No