Information card for entry 7057068

Structure parameters

• Chemical name: flucytosine/2,6-digydroxybenzoic acid
• Formula: C11 H12 F N3 O6
• Calculated formula: C11 H12 F N3 O6
• Title of publication: Synthesis of cocrystals/salts of flucytosine: Structure and stability
• Authors of publication: Nechipadappu, Sunil Kumar; Ramachandran, Jeeshma; Shivalingegowda, Naveen; Lokanath, Neratur Krishnappagowda; Trivedi, Darshak R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 5433
• a: 10.8713 ± 0.0013 Å
• b: 8.4914 ± 0.001 Å
• c: 14.4885 ± 0.0018 Å
• α: 90°
• β: 107.613 ± 0.003°
• γ: 90°
• Cell volume: 1274.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No