Information card for entry 2230894

Structure parameters

• Chemical name: 2-(3-Hydroxybenzylamino)acetic acid
• Formula: C9 H11 N O3
• Calculated formula: C9 H11 N O3
• SMILES: OC(=O)CNCc1cccc(c1)O
• Title of publication: 2-(3-Hydroxybenzylamino)acetic acid
• Authors of publication: Zhi, Li-Hua; Wu, Wei-Na
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1791
• a: 11.9779 ± 0.0003 Å
• b: 8.0267 ± 0.0002 Å
• c: 9.3835 ± 0.0002 Å
• α: 90°
• β: 101.391 ± 0.002°
• γ: 90°
• Cell volume: 884.39 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes