Information card for entry 1520259

Structure parameters

• Chemical name: N-(4-methoxyphenyl)acetamide
• Formula: C9 H11 N O2
• Calculated formula: C9 H11 N O2
• SMILES: c1(ccc(cc1)OC)NC(=O)C
• Title of publication: N-(4-methoxyphenyl)acetamide
• Authors of publication: Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 543
• a: 9.1172 ± 0.0002 Å
• b: 7.495 ± 0.0002 Å
• c: 24.6628 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1685.29 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No