Information card for entry 4021365

Structure parameters

• Common name: N-2-biphenylanthranilic acid
• Chemical name: N-2-biphenylanthranilic acid
• Formula: C19 H15 N O2
• Calculated formula: C19 H15 N O2
• SMILES: O=C(O)c1c(Nc2c(cccc2)c2ccccc2)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: 5.7231 ± 0.0008 Å
• b: 17.929 ± 0.002 Å
• c: 14.43 ± 0.0019 Å
• α: 90°
• β: 101.064 ± 0.002°
• γ: 90°
• Cell volume: 1453.2 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0807
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No