Information card for entry 2238797

Structure parameters

• Chemical name: <i>N</i>-(2-Chloroacetyl)glycine
• Formula: C4 H6 Cl N O3
• Calculated formula: C4 H6 Cl N O3
• SMILES: OC(=O)CNC(=O)CCl
• Title of publication: <i>N</i>-(2-Chloroacetyl)glycine
• Authors of publication: Zhang, Yu-Cheng; Zhang, Xiu-Qin; Wang, Kai; Chen, Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1712
• a: 18.001 ± 0.004 Å
• b: 7.6371 ± 0.0017 Å
• c: 9.372 ± 0.002 Å
• α: 90°
• β: 105.025 ± 0.003°
• γ: 90°
• Cell volume: 1244.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.043
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No