Information card for entry 2009489

Structure parameters

• Formula: C9 H10 N2 O4 S
• Calculated formula: C9 H10 N2 O4 S
• Title of publication: Structure du 5-méthyl-2-thioxo-1,2,3,4-tétrahydro-7<i>H</i>-pyrano[2,3-<i>d</i>]pyrimidine-4,7-dione méthanol solvaté, C~8~H~6~N~2~O~3~S.CH~4~O
• Authors of publication: Viossat, B.; Nguyen-Huy, D.; Tomas, A.; Esanu, A.; Rolland, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 269 - 271
• a: 9.111 ± 0.004 Å
• b: 6.547 ± 0.004 Å
• c: 17.93 ± 0.01 Å
• α: 90°
• β: 98.8 ± 0.05°
• γ: 90°
• Cell volume: 1056.9 ± 1 ų
• Cell temperature: 293 ± 1 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 significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for significantly intense reflections: 2.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No