Information card for entry 2223632

Structure parameters

• Chemical name: <i>N</i>-(2,6-Dichlorophenyl)-3-methylbenzamide
• Formula: C14 H11 Cl2 N O
• Calculated formula: C14 H11 Cl2 N O
• SMILES: N(C(=O)c1cc(ccc1)C)c1c(cccc1Cl)Cl
• Title of publication: <i>N</i>-(2,6-Dichlorophenyl)-3-methylbenzamide
• Authors of publication: Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Rodrigues, Vinola Zeena; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2713
• a: 11.9433 ± 0.0008 Å
• b: 12.5397 ± 0.0006 Å
• c: 9.5305 ± 0.0005 Å
• α: 90°
• β: 111.859 ± 0.007°
• γ: 90°
• Cell volume: 1324.72 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes