Information card for entry 2237850

Structure parameters

• Common name: <i>N</i>-(2-Methoxyphenyl)phthalamic acid
• Chemical name: 2-[(2-Methoxyphenyl)carbamoyl]benzoic acid
• Formula: C15 H13 N O4
• Calculated formula: C15 H13 N O4
• SMILES: COc1ccccc1NC(=O)c1ccccc1C(=O)O
• Title of publication: <i>N</i>-(2-Methoxyphenyl)phthalamic acid
• Authors of publication: Waddell, Paul G.; Rutledge, Rupert J.; Cole, Jacqueline M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o930
• a: 9.038 ± 0.004 Å
• b: 14.237 ± 0.005 Å
• c: 10.405 ± 0.004 Å
• α: 90°
• β: 107.456 ± 0.005°
• γ: 90°
• Cell volume: 1277.2 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes