Information card for entry 2206888

Structure parameters

• Common name: Malonamide
• Chemical name: Malonamide
• Formula: C3 H6 N2 O2
• Calculated formula: C3 H6 N2 O2
• SMILES: NC(=O)CC(=O)N
• Title of publication: Malonamide: an orthorhombic polymorph
• Authors of publication: Nichol, Gary S.; Clegg, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3427 - o3429
• a: 5.3602 ± 0.0009 Å
• b: 7.5178 ± 0.0008 Å
• c: 11.791 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 475.14 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No