Information card for entry 2206753

Structure parameters

• Chemical name: 2,2-Dimethyl-5-[(1,2,4-triazin-3-ylamino)methylene]-1,3-dioxane-4,6-dione
• Formula: C10 H10 N4 O4
• Calculated formula: C10 H10 N4 O4
• Title of publication: 2,2-Dimethyl-5-[(1,2,4-triazin-3-ylamino)methylene]-1,3-dioxane-4,6-dione
• Authors of publication: Joussef, Antonio C.; Silva, Luiz Everson da; Bortoluzzi, Adailton J.; Foro, Sabine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2873 - o2874
• a: 6.379 ± 0.005 Å
• b: 18.239 ± 0.005 Å
• c: 10.101 ± 0.005 Å
• α: 90°
• β: 107.331 ± 0.005°
• γ: 90°
• Cell volume: 1121.9 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes