Information card for entry 2240939

Structure parameters

• Chemical name: 1-Benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate
• Formula: C13 H15 N O4
• Calculated formula: C13 H15 N O4
• SMILES: O([C@@H]1[C@H](O)N(C(=O)C1)Cc1ccccc1)C(=O)C
• Title of publication: Crystal structure of 1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate
• Authors of publication: Caracelli, Ignez; Zukerman-Schpector, Julio; Stefani, Hélio A.; Ali, Bakhat; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: o582 - o583
• a: 26.504 ± 0.002 Å
• b: 6.3668 ± 0.0005 Å
• c: 7.604 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1283.14 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes