Information card for entry 2232369

Structure parameters

• Chemical name: 3,6-Dioxopiperazine-2,5-diacetamide
• Formula: C8 H12 N4 O4
• Calculated formula: C8 H12 N4 O4
• SMILES: NC(=O)C[C@@H]1NC(=O)[C@H](NC1=O)CC(=O)N
• Title of publication: <i>meso</i>-3,6-Dioxopiperazine-2,5-diacetamide
• Authors of publication: Li, Ping; Zhang, Chun; Xu, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3041
• a: 5.0409 ± 0.001 Å
• b: 8.3178 ± 0.0017 Å
• c: 12.9 ± 0.003 Å
• α: 90°
• β: 109.76 ± 0.03°
• γ: 90°
• Cell volume: 509 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes