Information card for entry 8100424

Structure parameters

• Formula: C12 H15 N3 O2
• Calculated formula: C12 H15 N3 O2
• Title of publication: Crystal structure of 1,3,5-trimethyl-6-phenyl-2,4-dioxohexa-hydro- 1,3,5-triazine, C~12~H~15~N~3~O~2~
• Authors of publication: Klepp, O. Kurt; Schmidt, Harald
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 539 - 540
• a: 8.902 ± 0.006 Å
• b: 12.674 ± 0.002 Å
• c: 10.647 ± 0.004 Å
• α: 90°
• β: 98.84 ± 0.02°
• γ: 90°
• Cell volume: 1187 ± 1 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: 0.048
• Weighted residual factors for significantly intense reflections: 0.048
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No