Information card for entry 2201569

Structure parameters

• Common name: 2,4,6-trimethylacetanilide
• Chemical name: N-[2,4,6-trimethylphenyl]acetamide
• Formula: C11 H15 N O
• Calculated formula: C11 H15 N O
• SMILES: O=C(Nc1c(cc(cc1C)C)C)C
• Title of publication: 2,4,6-Trimethylacetanilide
• Authors of publication: Upadhyaya, V.; Mahalakshmi, L.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o997 - o998
• a: 8.2 ± 0.004 Å
• b: 8.538 ± 0.004 Å
• c: 8.295 ± 0.004 Å
• α: 90°
• β: 113.626 ± 0.006°
• γ: 90°
• Cell volume: 532.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes