Information card for entry 2011375

Structure parameters

• Formula: C4 H8 N2 O2
• Calculated formula: C4 H8 N2 O2
• SMILES: CC(C(=O)N)C(=O)N
• Title of publication: Methylmalonamide and ethylmalonamide
• Authors of publication: Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: e411 - e412
• a: 9.778 ± 0.002 Å
• b: 10.879 ± 0.002 Å
• c: 5.706 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 607 ± 0.3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes