Information card for entry 4021362

Structure parameters

• Common name: N-2-methylphenylanthranilic acid
• Chemical name: N-2-methylphenylanthranilic acid
• Formula: C14 H13 N O2
• Calculated formula: C14 H13 N O2
• SMILES: O=C(O)c1ccccc1Nc1ccccc1C
• Title of publication: Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives
• Authors of publication: Xuefeng Mei; Adam T. August; Christian Wolf
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 142 - 149
• a: 11.7804 ± 0.0016 Å
• b: 7.4503 ± 0.001 Å
• c: 26.627 ± 0.003 Å
• α: 90°
• β: 100.168 ± 0.002°
• γ: 90°
• Cell volume: 2300.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No