Information card for entry 2212851

Structure parameters

• Chemical name: <i>N</i>-(2-Methylphenyl)acetamide
• Formula: C9 H11 N O
• Calculated formula: C9 H11 N O
• SMILES: CC(=O)Nc1c(cccc1)C
• Title of publication: <i>N</i>-(2-Methylphenyl)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: 4
• Pages of publication: o1977 - o1978
• a: 8.9608 ± 0.001 Å
• b: 12.4784 ± 0.0017 Å
• c: 15.012 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1678.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1365
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes