Information card for entry 1571170

Structure parameters

• Chemical name: 5-Bromo-2-(phenylamino)benzoic acid
• Formula: C13 H10 Br N O2
• Calculated formula: C13 H10 Br N O2
• Title of publication: 5-Bromo-2-(phenylamino)benzoic acid
• Authors of publication: Kang, Liping; Long, Sihui
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 3
• a: 15.2054 ± 0.0003 Å
• b: 3.8818 ± 0.0001 Å
• c: 19.8109 ± 0.0004 Å
• α: 90°
• β: 107.039 ± 0.001°
• γ: 90°
• Cell volume: 1118 ± 0.04 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No