Information card for entry 2236156

Structure parameters

• Chemical name: <i>N</i>-[(2<i>S</i>)-2-Chloropropanoyl]glycine
• Formula: C5 H8 Cl N O3
• Calculated formula: C5 H8 Cl N O3
• SMILES: Cl[C@@H](C)C(=O)NCC(=O)O
• Title of publication: <i>N</i>-[(2<i>S</i>)-2-Chloropropanoyl]glycine
• Authors of publication: Sun, Hong-shun; Tang, Yi; Li, Yu-long; Xu, Ning; Xu, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2814
• a: 5.517 ± 0.0011 Å
• b: 11.622 ± 0.002 Å
• c: 11.964 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 767.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes