Information card for entry 2220729

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenyl)-2-methylbenzamide
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: c1(ccc(cc1)Cl)NC(=O)c1c(cccc1)C
• Title of publication: <i>N</i>-(4-Chlorophenyl)-2-methylbenzamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Terao, Hiromitsu; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o389
• a: 22.345 ± 0.002 Å
• b: 5.1092 ± 0.0004 Å
• c: 22.222 ± 0.001 Å
• α: 90°
• β: 109.593 ± 0.006°
• γ: 90°
• Cell volume: 2390.1 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes