Information card for entry 2233484

Structure parameters

• Chemical name: 4-Chloro-2-hydroxy-<i>N</i>-(4-methylphenyl)benzamide
• Formula: C14 H12 Cl N O2
• Calculated formula: C14 H12 Cl N O2
• SMILES: Clc1cc(O)c(cc1)C(=O)Nc1ccc(cc1)C
• Title of publication: 4-Chloro-2-hydroxy-<i>N</i>-(4-methylphenyl)benzamide
• Authors of publication: Raza, Abdul Rauf; Nisar, Bushra; Tahir, M. Nawaz; Shamshad, Sumaira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o391
• a: 13.8553 ± 0.0012 Å
• b: 7.6197 ± 0.0007 Å
• c: 12.0114 ± 0.0011 Å
• α: 90°
• β: 104.937 ± 0.005°
• γ: 90°
• Cell volume: 1225.23 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1039
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes