Information card for entry 4021363

Structure parameters

• Common name: N-2-isopropylphenylanthranilic acid
• Chemical name: N-2-isopropylphenylanthranilic acid
• Formula: C16 H17 N O2
• Calculated formula: C16 H17 N O2
• SMILES: O=C(O)c1c(Nc2c(cccc2)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: 7.4585 ± 0.001 Å
• b: 7.5891 ± 0.001 Å
• c: 13.6653 ± 0.0019 Å
• α: 79.998 ± 0.002°
• β: 85.875 ± 0.002°
• γ: 62.141 ± 0.002°
• Cell volume: 673.42 ± 0.16 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0779
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No