Information card for entry 2225476

Structure parameters

• Chemical name: <i>N</i>-(2-Chlorophenyl)-3-methylbenzamide
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: Cc1cccc(c1)C(=O)Nc1ccccc1Cl
• Title of publication: <i>N</i>-(2-Chlorophenyl)-3-methylbenzamide
• Authors of publication: Rodrigues, Vinola Zeena; Tokarčík, Miroslav; Gowda, B. Thimme; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o891
• a: 9.9972 ± 0.0003 Å
• b: 4.9124 ± 0.0001 Å
• c: 24.6662 ± 0.0007 Å
• α: 90°
• β: 100.248 ± 0.003°
• γ: 90°
• Cell volume: 1192.04 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No