Information card for entry 2231836

Structure parameters

• Chemical name: <i>N</i>-(2-Chlorophenyl)-4-methylbenzamide
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: c1(c(cccc1)Cl)NC(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>-(2-Chlorophenyl)-4-methylbenzamide
• 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: 10
• Pages of publication: o2767
• a: 9.694 ± 0.0005 Å
• b: 27.4495 ± 0.0009 Å
• c: 9.9025 ± 0.0004 Å
• α: 90°
• β: 106.73 ± 0.005°
• γ: 90°
• Cell volume: 2523.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1256
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes