Information card for entry 1520402

Structure parameters

• Chemical name: N-(3-acetylphenyl)acetamide
• Formula: C10 H11 N O2
• Calculated formula: C10 H11 N O2
• SMILES: c1(cc(ccc1)C(=O)C)NC(=O)C
• Title of publication: N-(3-acetylphenyl)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: 1378
• a: 5.5061 ± 0.0002 Å
• b: 7.2607 ± 0.0003 Å
• c: 11.4567 ± 0.0005 Å
• α: 103.709 ± 0.002°
• β: 93.064 ± 0.003°
• γ: 100.528 ± 0.003°
• Cell volume: 435.23 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No