Information card for entry 2207173

Structure parameters

• Common name: Ethopabate
• Chemical name: Methyl 4-acetamido-2-ethoxybenzoate
• Formula: C12 H15 N O4
• Calculated formula: C12 H15 N O4
• SMILES: O(c1c(C(=O)OC)ccc(NC(=O)C)c1)CC
• Title of publication: Ethopabate
• Authors of publication: Gao, Fei; Yin, Cai-Xia; Huo, Fang-Jun; Yang, Pin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3870 - o3871
• a: 15.11 ± 0.003 Å
• b: 9.2097 ± 0.0019 Å
• c: 17.084 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2377.4 ± 0.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 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: 0.06
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes