Information card for entry 2228517

Structure parameters

• Chemical name: Ethyl 2-(3-amino-4-hydroxyphenyl)acetate
• Formula: C10 H13 N O3
• Calculated formula: C10 H13 N O3
• SMILES: CCOC(=O)Cc1ccc(c(c1)N)O
• Title of publication: Ethyl 2-(3-amino-4-hydroxyphenyl)acetate
• Authors of publication: Zhang, Fang; Liang, Wen-De; Li, Gong-Xing; Jiang, Wang; Xiao, Zhu-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3069
• a: 8.594 ± 0.0017 Å
• b: 10.142 ± 0.002 Å
• c: 12.043 ± 0.002 Å
• α: 98.23 ± 0.03°
• β: 104.96 ± 0.03°
• γ: 90.41 ± 0.03°
• Cell volume: 1002.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1258
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.2132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes