Information card for entry 1519879

Structure parameters

• Formula: C10 H13 N O
• Calculated formula: C10 H13 N O
• SMILES: O=C(Nc1ccc(cc1)CC)C
• Title of publication: N-(4-ethylphenyl)acetamide
• Authors of publication: Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 1398
• a: 4.5852 ± 0.0002 Å
• b: 21.3953 ± 0.001 Å
• c: 9.431 ± 0.0004 Å
• α: 90°
• β: 90.001 ± 0.003°
• γ: 90°
• Cell volume: 925.2 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No