Information card for entry 2218216

Structure parameters

• Chemical name: <i>N</i>-(3-Chlorophenyl)-2-methylbenzamide
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: c1(cc(ccc1)Cl)NC(=O)c1c(cccc1)C
• Title of publication: <i>N</i>-(3-Chlorophenyl)-2-methylbenzamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o861
• a: 8.8237 ± 0.0008 Å
• b: 8.8237 ± 0.0008 Å
• c: 15.977 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1243.9 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes