Information card for entry 8100768

Structure parameters

• Formula: C12 H23 N3 O2
• Calculated formula: C12 H23 N3 O2
• SMILES: O=C1N(CN(C(=O)N1C(C)C)C(C)C)C(C)C
• Title of publication: Crystal structure of 1,3,5-tri-2-propyl-2,4-dioxohexahydro-1,3,5-triazine, C~12~H~23~N~3~O~2~
• Authors of publication: Klepp, O. Kurt; Schmidt, Harald
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 4
• Pages of publication: 567 - 568
• a: 6.033 ± 0.002 Å
• b: 17.658 ± 0.008 Å
• c: 13.224 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1409 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Weighted residual factors for significantly intense reflections: 0.048
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No