Information card for entry 2225999

Structure parameters

• Chemical name: <i>N</i>-(2,4-Dimethylphenyl)4-methylbenzamide
• Formula: C16 H17 N O
• Calculated formula: C16 H17 N O
• SMILES: c1(c(cc(cc1)C)C)NC(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>-(2,4-Dimethylphenyl)-4-methylbenzamide
• Authors of publication: Rodrigues, Vinola Z.; Tokarčík, Miroslav; Gowda, B. Thimme; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1116
• a: 22.4974 ± 0.0017 Å
• b: 6.6033 ± 0.0002 Å
• c: 9.2474 ± 0.0006 Å
• α: 90°
• β: 100.209 ± 0.006°
• γ: 90°
• Cell volume: 1352.02 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.1225
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes