Information card for entry 8102587

Structure parameters

• Chemical name: (s)-2-(2-oxopyrrolidin-1-yl)butanoic acid, C~8~H~13~NO~3~
• Formula: C8 H13 N O3
• Calculated formula: C8 H13 N O3
• SMILES: OC(=O)[C@@H](N1C(=O)CCC1)CC
• Title of publication: Crystal structure of (S)-2-(2-oxopyrrolidin-1-yl)butanoic acid, C8H13NO3
• Authors of publication: Yin-Qiu Liu; Yan Sui; Xiao-Niu Fang; Ren-Yun Kuang; Qiu-Yan Luo; Ya-Ping Xu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 709
• a: 6.285 ± 0.003 Å
• b: 8.01 ± 0.004 Å
• c: 9.19 ± 0.005 Å
• α: 90°
• β: 108.411 ± 0.007°
• γ: 90°
• Cell volume: 439 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No