Information card for entry 7057067

Structure parameters

• Chemical name: Flucytosine/2,3-dihydroxybenzoic acid
• Formula: C15 H14 F2 N6 O6
• Calculated formula: C15 H14 F2 N6 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: 9.1192 ± 0.0005 Å
• b: 10.0601 ± 0.0005 Å
• c: 10.0983 ± 0.0005 Å
• α: 105.212 ± 0.002°
• β: 112.72 ± 0.002°
• γ: 95.794 ± 0.002°
• Cell volume: 803.01 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0692
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No