Information card for entry 2203383

Structure parameters

• Common name: N,N'-diacetyl-1,3-diazo-2-one
• Chemical name: 1,3-diacetyl-4-imidazolin-2-one
• Formula: C7 H8 N2 O3
• Calculated formula: C7 H8 N2 O3
• SMILES: O=C(N1C(=O)N(C=C1)C(=O)C)C
• Title of publication: 1,3-Diacetyl-4-imidazolin-2-one
• Authors of publication: Crockett, Rowena; Forrester, Alexander R.; Howie, R. Alan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o558 - o560
• a: 8.156 ± 0.004 Å
• b: 18.251 ± 0.005 Å
• c: 5.172 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 769.9 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes