Information card for entry 2232582

Structure parameters

• Chemical name: <i>N</i>-(3,5-Dimethylphenyl)-4-methylbenzamide
• Formula: C16 H17 N O
• Calculated formula: C16 H17 N O
• SMILES: C(=O)(c1ccc(cc1)C)Nc1cc(cc(c1)C)C
• Title of publication: <i>N</i>-(3,5-Dimethylphenyl)-4-methylbenzamide
• Authors of publication: Rodrigues, Vinola Z.; Herich, Peter; Gowda, B. Thimme; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3147
• a: 15.9048 ± 0.0006 Å
• b: 9.0323 ± 0.0004 Å
• c: 9.6774 ± 0.0003 Å
• α: 90°
• β: 93.619 ± 0.003°
• γ: 90°
• Cell volume: 1387.45 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes