Information card for entry 2218988

Structure parameters

• Chemical name: <i>N</i>-(2,6-Dimethylphenyl)-2-methylbenzamide
• Formula: C16 H17 N O
• Calculated formula: C16 H17 N O
• SMILES: c1(c(cccc1C)C)NC(=O)c1c(cccc1)C
• Title of publication: <i>N</i>-(2,6-Dimethylphenyl)-2-methylbenzamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1605
• a: 11.687 ± 0.001 Å
• b: 10.0187 ± 0.0008 Å
• c: 22.108 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2588.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes