Information card for entry 1520242

Structure parameters

• Chemical name: N-(4-chlorophenyl)acetamide
• Formula: C8 H8 Cl N O
• Calculated formula: C8 H8 Cl N O
• SMILES: Clc1ccc(NC(=O)C)cc1
• Title of publication: N-(4-chlorophenyl)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: 1387
• a: 9.6978 ± 0.0004 Å
• b: 12.3874 ± 0.0004 Å
• c: 6.5757 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 789.94 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No