Information card for entry 2232182

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-(4-methylphenyl)benzamide
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: C(=O)(c1c(cccc1)Cl)Nc1ccc(cc1)C
• Title of publication: 2-Chloro-<i>N</i>-(4-methylphenyl)benzamide
• Authors of publication: Rodrigues, Vinola Z.; Herich, Peter; Gowda, B. Thimme; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2940
• a: 20.2969 ± 0.0014 Å
• b: 7.185 ± 0.0005 Å
• c: 8.8662 ± 0.0005 Å
• α: 90°
• β: 93.75 ± 0.005°
• γ: 90°
• Cell volume: 1290.22 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 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: 0.1107
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes