Information card for entry 1569537

Structure parameters

• Chemical name: 4-(3-Chloroanilino)benzoic acid
• Formula: C13 H10 Cl N O2
• Calculated formula: C13 H10 Cl N O2
• Title of publication: 4-(3-Chloroanilino)benzoic acid
• Authors of publication: Liu, Xiaoting; Long, Sihui
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 7
• a: 10.8865 ± 0.0002 Å
• b: 10.31441 ± 0.00018 Å
• c: 11.0885 ± 0.0002 Å
• α: 90°
• β: 113.817 ± 0.003°
• γ: 90°
• Cell volume: 1139.07 ± 0.04 ų
• Cell temperature: 288.2 ± 0.2 K
• Ambient diffraction temperature: 288.2 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No