Information card for entry 8101177

Structure parameters

• Formula: C6 H10 N2 O3
• Calculated formula: C6 H10 N2 O3
• SMILES: O=C1N(CCN1)C(=O)OCC
• Title of publication: Crystal structure of N-carboethoxycarbonyl-2-imidazolidinone, C~6~H~10~N~2~O~3~
• Authors of publication: Crisp, G. T.; Jiang, Y.-L.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 85 - 86
• a: 6.121 ± 0.003 Å
• b: 8.84 ± 0.004 Å
• c: 13.346 ± 0.008 Å
• α: 90°
• β: 90.49 ± 0.04°
• γ: 90°
• Cell volume: 722.1 ± 0.6 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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 significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.065
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No