Information card for entry 7058828

Structure parameters

• Common name: 5-FC, 5-Fluorocytosine, Fluorocytosine, FCDNS
• Chemical name: 5-Fluorocytosinium 3,5-dinitrosalicylate monohydrate
• Formula: C11 H10 F N5 O9
• Calculated formula: C11 H10 F N5 O9
• Title of publication: Supramolecular synthesis and characterization of crystalline solids obtained from the reaction of 5-fluorocytosine with nitro compounds
• Authors of publication: Souza, Matheus S.; Diniz, Luan F.; Alvarez, Natalia; da Silva, Cecília C. P.; Ellena, Javier
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 40
• Pages of publication: 15924
• a: 21.337 ± 0.003 Å
• b: 5.4905 ± 0.0009 Å
• c: 12.445 ± 0.002 Å
• α: 90°
• β: 103.196 ± 0.003°
• γ: 90°
• Cell volume: 1419.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No