Information card for entry 2213284

Structure parameters

• Chemical name: N-(3,5-dimethylphenyl)acetamide
• Formula: C10 H13 N O
• Calculated formula: C10 H13 N O
• SMILES: CC(=O)Nc1cc(cc(c1)C)C
• Title of publication: <i>N</i>-(3,5-Dimethylphenyl)acetamide
• Authors of publication: B. Thimme Gowda; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2711 - o2711
• a: 8.7925 ± 0.0012 Å
• b: 27.69 ± 0.005 Å
• c: 7.6525 ± 0.0015 Å
• α: 90°
• β: 92.65 ± 0.01°
• γ: 90°
• Cell volume: 1861.1 ± 0.6 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: 0.1682
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes