Information card for entry 2015964

Structure parameters

• Common name: N-carbamoyl-L-proline
• Chemical name: (2S)-1-Carbamoylpyrrolidine-2-carboxylic acid
• Formula: C6 H10 N2 O3
• Calculated formula: C6 H10 N2 O3
• SMILES: O=C(O)[C@H]1N(CCC1)C(=O)N
• Title of publication: (2<i>S</i>)-1-Carbamoylpyrrolidine-2-carboxylic acid
• Authors of publication: Seijas, Luis E.; Delgado, Gerzon E.; Mora, Asiloé J.; Bahsas, Ali; Briceño, Alexander
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o303 - o305
• a: 6.4711 ± 0.0013 Å
• b: 9.781 ± 0.002 Å
• c: 12.524 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 792.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes