Information card for entry 2218101

Structure parameters

• Chemical name: Ethyl 4-amino-3-methylbenzoate
• Formula: C10 H13 N O2
• Calculated formula: C10 H13 N O2
• SMILES: O(CC)C(=O)c1cc(c(N)cc1)C
• Title of publication: Ethyl 4-amino-3-methylbenzoate
• Authors of publication: Song, Wen-Lan; Wang, Dan; Li, Xin-Hua; Wang, De-Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o785
• a: 8.011 ± 0.0016 Å
• b: 8.703 ± 0.0017 Å
• c: 15.835 ± 0.003 Å
• α: 90.78 ± 0.03°
• β: 95.13 ± 0.03°
• γ: 114.34 ± 0.03°
• Cell volume: 1000.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1172
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes