Information card for entry 2016909

Structure parameters

• Formula: C9 H15 N3 O3
• Calculated formula: C9 H15 N3 O3
• SMILES: NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C
• Title of publication: Structure of <i>N</i>-acetyl-<small>L</small>-prolylglycinamide
• Authors of publication: Puliti, R.; Mattia, C. A.; Lilley, T. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 2173 - 2176
• a: 8.282 ± 0.001 Å
• b: 17.099 ± 0.002 Å
• c: 8.367 ± 0.001 Å
• α: 90°
• β: 117.08 ± 0.02°
• γ: 90°
• Cell volume: 1055 ± 0.3 ų
• Cell temperature: 293 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 significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 0.89
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No