Information card for entry 2211993

Structure parameters

• Chemical name: N-(methylacryloyl)glycine
• Formula: C6 H9 N O3
• Calculated formula: C6 H9 N O3
• SMILES: O=C(O)CNC(=O)C(=C)C
• Title of publication: <i>N</i>-(Methylacryloyl)glycine
• Authors of publication: Lv, Zhi-Fang; Gao, Xu-Sheng; Wu, Wen-Yuan; Gao, Xiao-Feng; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o485 - o486
• a: 8.634 ± 0.0017 Å
• b: 10.343 ± 0.002 Å
• c: 9.16 ± 0.0018 Å
• α: 90°
• β: 115.04 ± 0.03°
• γ: 90°
• Cell volume: 741.1 ± 0.3 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: 0.0752
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes