Information card for entry 2216342

Structure parameters

• Common name: 2-Methoxy-2-methylimidazolidine-4,5-dione
• Chemical name: 2-Methoxy-2-methylimidazolidine-4,5-dione
• Formula: C5 H8 N2 O3
• Calculated formula: C5 H8 N2 O3
• SMILES: O=C1NC(OC)(NC1=O)C
• Title of publication: 2-Methoxy-2-methylimidazolidine-4,5-dione
• Authors of publication: Ružička, Aleš; Ottis, Jan; Jalový, Zdeněk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4704 - o4704
• a: 12.494 ± 0.0006 Å
• b: 6.193 ± 0.0004 Å
• c: 16.817 ± 0.0009 Å
• α: 90°
• β: 95.054 ± 0.004°
• γ: 90°
• Cell volume: 1296.16 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes