Information card for entry 2206047

Structure parameters

• Chemical name: 4-aminophenylacetic acid
• Formula: C8 H9 N O2
• Calculated formula: C8 H9 N O2
• SMILES: [NH3+]c1ccc(cc1)CC(=O)[O-]
• Title of publication: 4-Aminophenylacetic acid
• Authors of publication: Sandra Gracin; Michael Svärd; Andreas Fischer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1536 - o1537
• a: 11.3184 ± 0.001 Å
• b: 7.6823 ± 0.0007 Å
• c: 16.8656 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1466.5 ± 0.2 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes