Information card for entry 2015322

Structure parameters

• Chemical name: morpholine-2,5-dione
• Formula: C4 H5 N O3
• Calculated formula: C4 H5 N O3
• SMILES: O1C(=O)CNC(=O)C1
• Title of publication: Morpholine-2,5-dione
• Authors of publication: Martínez-Palau, Meritxell; Urpí, Lourdes; Solans, Xavier; Puiggalí, Jordi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o262 - o264
• a: 5.379 ± 0.005 Å
• b: 9.218 ± 0.002 Å
• c: 9.794 ± 0.002 Å
• α: 90°
• β: 92.28 ± 0.04°
• γ: 90°
• Cell volume: 485.2 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes