Information card for entry 2015436

Structure parameters

• Common name: 5-fluorouracil, thymine
• Chemical name: 5-fluoropyrimidine-2,4(1H,3H)-dione‒5-methylpyrimidine-2,4(1H,3H)-dione
• Formula: C8.58 H7.74 F1.42 N4 O4
• Calculated formula: C8.579 H7.734 F1.421 N4 O4
• Title of publication: 5-Fluorouracil and thymine form a crystalline solid solution
• Authors of publication: Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o412 - o415
• a: 19.235 ± 0.003 Å
• b: 5.9683 ± 0.0008 Å
• c: 20.042 ± 0.003 Å
• α: 90°
• β: 118.216 ± 0.002°
• γ: 90°
• Cell volume: 2027.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.11
• 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: Yes
• Has Fobs: Yes