Information card for entry 2221290

Structure parameters

• Chemical name: <i>N</i>-(2,4-Dimethylphenyl)-2-methylbenzamide
• Formula: C16 H17 N O
• Calculated formula: C16 H17 N O
• SMILES: c1(c(cc(cc1)C)C)NC(=O)c1c(cccc1)C
• Title of publication: <i>N</i>-(2,4-Dimethylphenyl)-2-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: 4
• Pages of publication: o826
• a: 6.0062 ± 0.0004 Å
• b: 9.8036 ± 0.0006 Å
• c: 44.943 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2646.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.2318
• Weighted residual factors for all reflections included in the refinement: 0.2413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes