Information card for entry 2231307

Structure parameters

• Common name: <i>N</i>-Acryloylglycinamide
• Chemical name: <i>N</i>-(Carbamoylmethyl)prop-2-enamide
• Formula: C5 H8 N2 O2
• Calculated formula: C5 H8 N2 O2
• SMILES: C=CC(=O)NCC(=O)N
• Title of publication: <i>N</i>-Acryloyl glycinamide
• Authors of publication: Seuring, Jan; Agarwal, Seema; Harms, Klaus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2170
• a: 15.938 ± 0.002 Å
• b: 4.8055 ± 0.0004 Å
• c: 8.492 ± 0.0012 Å
• α: 90°
• β: 98.109 ± 0.011°
• γ: 90°
• Cell volume: 643.9 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes