Information card for entry 7226664

Structure parameters

• Common name: Clevudine (Form 3)
• Chemical name: 1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione
• Formula: C10 H13 F N2 O5
• Calculated formula: C10 H13 F N2 O5
• SMILES: N1([C@H]2O[C@H]([C@@H]([C@H]2F)O)CO)C(=O)NC(=O)C(=C1)C
• Title of publication: Polymorphism of the antiviral agent clevudine
• Authors of publication: Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 42
• Pages of publication: 8172
• a: 10.4391 ± 0.0013 Å
• b: 16.017 ± 0.002 Å
• c: 13.8687 ± 0.0018 Å
• α: 90°
• β: 101.604 ± 0.002°
• γ: 90°
• Cell volume: 2271.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No