Information card for entry 2225485

Structure parameters

• Chemical name: <i>N</i>-(2,6-Dimethylphenyl)-3-methylbenzamide
• Formula: C16 H17 N O
• Calculated formula: C16 H17 N O
• SMILES: C(=O)(c1cc(ccc1)C)Nc1c(cccc1C)C
• Title of publication: <i>N</i>-(2,6-Dimethylphenyl)-3-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: 4
• Pages of publication: o991
• a: 12.0715 ± 0.0004 Å
• b: 12.4966 ± 0.0003 Å
• c: 9.7027 ± 0.0003 Å
• α: 90°
• β: 112.123 ± 0.004°
• γ: 90°
• Cell volume: 1355.92 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes