Information card for entry 1520430

Structure parameters

• Chemical name: N-(2-methylphenyl)acetamide
• Formula: C9 H11 N O
• Calculated formula: C9 H11 N O
• SMILES: c1(c(cccc1)C)NC(=O)C
• Title of publication: N-(2-methylphenyl)acetamide
• Authors of publication: Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 1367
• a: 11.1083 ± 0.0006 Å
• b: 4.8283 ± 0.0003 Å
• c: 15.2681 ± 0.0007 Å
• α: 90°
• β: 99.17 ± 0.003°
• γ: 90°
• Cell volume: 808.43 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No