Information card for entry 4511824

Structure parameters

• Common name: Cocrystal 5FC succinic acid
• Formula: C6 H7 F N3 O3
• Calculated formula: C6 H7 F N3 O3
• Title of publication: Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule
• Authors of publication: da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 4383
• a: 4.9209 ± 0.0003 Å
• b: 8.6115 ± 0.0005 Å
• c: 9.4689 ± 0.0006 Å
• α: 72.466 ± 0.003°
• β: 75.129 ± 0.003°
• γ: 89.747 ± 0.003°
• Cell volume: 368.64 ± 0.04 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0436
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No