Information card for entry 2237478

Structure parameters

• Chemical name: 2-(4-Acetamidophenoxy)-2-methylpropanoic acid
• Formula: C12 H15 N O4
• Calculated formula: C12 H15 N O4
• SMILES: c1(ccc(cc1)NC(=O)C)OC(C)(C)C(=O)O
• Title of publication: 2-(4-Acetamidophenoxy)-2-methylpropanoic acid
• Authors of publication: Navarrete-Vázquez, Gabriel; Colín-Lozano, Blanca; Tlahuext, Hugo; Tapia-Benavides, Antonio R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o443
• a: 8.3184 ± 0.0004 Å
• b: 13.1554 ± 0.0006 Å
• c: 12.0452 ± 0.0005 Å
• α: 90°
• β: 109.959 ± 0.005°
• γ: 90°
• Cell volume: 1238.96 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes