Information card for entry 2204299

Structure parameters

• Chemical name: 5-Fluorouracil Dimethylsulfoxide (1/1)
• Formula: C6 H9 F N2 O3 S
• Calculated formula: C6 H9 F N2 O3 S
• Title of publication: 5-Fluorouracil‒dimethyl sulfoxide (1/1)
• Authors of publication: Hulme, Ashley T.; Tocher, Derek A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1786 - o1787
• a: 9.8831 ± 0.001 Å
• b: 10.8128 ± 0.0011 Å
• c: 8.6842 ± 0.0009 Å
• α: 90°
• β: 107.397 ± 0.002°
• γ: 90°
• Cell volume: 885.58 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes