Information card for entry 1519900

Structure parameters

• Chemical name: N-(3-chlorophenyl)acetamide
• Formula: C8 H8 Cl N O
• Calculated formula: C8 H8 Cl N O
• SMILES: c1(cc(ccc1)Cl)NC(=O)C
• Title of publication: N-(3-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: 1379
• a: 4.7667 ± 0.0001 Å
• b: 18.4984 ± 0.0004 Å
• c: 18.6318 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1642.88 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No