Information card for entry 2225748

Structure parameters

• Chemical name: <i>N</i>-(3,5-Dimethylphenyl)-2-methylbenzamide
• Formula: C16 H17 N O
• Calculated formula: C16 H17 N O
• SMILES: Cc1cc(cc(c1)C)NC(=O)c1ccccc1C
• Title of publication: <i>N</i>-(3,5-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: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o843
• a: 10.5174 ± 0.0005 Å
• b: 14.9616 ± 0.0007 Å
• c: 8.9209 ± 0.0004 Å
• α: 90°
• β: 105.373 ± 0.004°
• γ: 90°
• Cell volume: 1353.54 ± 0.11 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: 0.0701
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes