Information card for entry 2231023

Structure parameters

• Chemical name: <i>N</i>-(2,6-Dichlorophenyl)-4-methylbenzamide
• Formula: C14 H11 Cl2 N O
• Calculated formula: C14 H11 Cl2 N O
• SMILES: c1(c(cccc1Cl)Cl)NC(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>-(2,6-Dichlorophenyl)-4-methylbenzamide
• Authors of publication: Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2123
• a: 16.4706 ± 0.0008 Å
• b: 16.4706 ± 0.0008 Å
• c: 19.8709 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5390.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes