Information card for entry 4513338

Structure parameters

• Common name: N-(3-bromo-2-methylphenyl)anthranilic acid
• Chemical name: N-(3-bromo-2-methylphenyl)anthranilic acid
• Formula: C14 H12 Br N O2
• Calculated formula: C14 H12 Br N O2
• SMILES: Brc1cccc(Nc2c(C(=O)O)cccc2)c1C
• Title of publication: Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore
• Authors of publication: López-Mejías, Vilmalí; Matzger, Adam J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3955
• a: 11.3655 ± 0.0011 Å
• b: 7.6045 ± 0.0006 Å
• c: 29.54 ± 0.002 Å
• α: 90°
• β: 95.385 ± 0.007°
• γ: 90°
• Cell volume: 2541.8 ± 0.4 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 5
• 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: 0.1324
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No