Information card for entry 4021366

Structure parameters

• Common name: N-(3-methylphenyl)anthranilic acid
• Chemical name: N-(3-methylphenyl)anthranilic acid
• Formula: C14 H13 N O2
• Calculated formula: C14 H13 N O2
• SMILES: O=C(O)c1c(Nc2cccc(c2)C)cccc1
• 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: 4.6299 ± 0.0014 Å
• b: 8.332 ± 0.002 Å
• c: 15.336 ± 0.004 Å
• α: 98.466 ± 0.004°
• β: 92.198 ± 0.004°
• γ: 101.337 ± 0.004°
• Cell volume: 572.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No