Information card for entry 8101194

Structure parameters

• Formula: C6 H11 N3 O2
• Calculated formula: C6 H11 N3 O2
• Title of publication: Crystal structure of 1,3,5-trimethyl-2,4-dioxohexahydro-1,3,5-triazine, C~6~H~11~N~3~O~2~
• Authors of publication: Klepp, Kurt O.; Stähr, Monika; Schmidt, Harald
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 147 - 148
• a: 4.045 ± 0.002 Å
• b: 12.068 ± 0.002 Å
• c: 15.813 ± 0.002 Å
• α: 90°
• β: 95.3 ± 0.02°
• γ: 90°
• Cell volume: 768.6 ± 0.6 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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 significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.036
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No