Information card for entry 2207965

Structure parameters

• Chemical name: 1-(Carbamoylmethyl)-5-oxopyrrolidin-3-yl propionat
• Formula: C9 H14 N2 O4
• Calculated formula: C9 H14 N2 O4
• SMILES: O=C1N(CC(OC(=O)CC)C1)CC(=O)N
• Title of publication: 1-(Carbamoylmethyl)-5-oxopyrrolidin-3-yl propionate
• Authors of publication: Xin, Chen; Jie, Lin; Ming, Yu; Jing, Zuo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o678 - o679
• a: 12.6981 ± 0.0017 Å
• b: 9.063 ± 0.0013 Å
• c: 9.5362 ± 0.0013 Å
• α: 90°
• β: 104.592 ± 0.002°
• γ: 90°
• Cell volume: 1062.1 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0899
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes