Information card for entry 1520400

Structure parameters

• Chemical name: N-(2-chlorophenyl)acetamide
• Formula: C8 H8 Cl N O
• Calculated formula: C8 H8 Cl N O
• SMILES: c1(c(cccc1)Cl)NC(=O)C
• Title of publication: N-(2-chlorophenyl)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: 1368
• a: 10.5174 ± 0.0002 Å
• b: 9.4252 ± 0.0004 Å
• c: 16.2656 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1612.39 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No