Information card for entry 4021364

Structure parameters

• Common name: N-(2-tert-butylphenyl)anthranilic acid
• Chemical name: N-(2-tert-butylphenyl)anthranilic acid
• Formula: C17 H19 N O2
• Calculated formula: C17 H19 N O2
• SMILES: OC(=O)c1c(Nc2c(cccc2)C(C)(C)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: 7.4748 ± 0.0012 Å
• b: 9.3856 ± 0.0015 Å
• c: 11.0319 ± 0.0017 Å
• α: 106.582 ± 0.003°
• β: 91.207 ± 0.003°
• γ: 99.212 ± 0.003°
• Cell volume: 730.4 ± 0.2 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: 0.0626
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No