Information card for entry 1520180

Structure parameters

• Chemical name: N-(2-bromophenyl)acetamide
• Formula: C8 H8 Br N O
• Calculated formula: C8 H8 Br N O
• SMILES: c1(c(cccc1)Br)NC(=O)C
• Title of publication: N-(2-bromophenyl)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: 1361
• a: 4.7808 ± 0.0001 Å
• b: 11.9344 ± 0.0005 Å
• c: 14.6859 ± 0.0005 Å
• α: 90°
• β: 96.82 ± 0.002°
• γ: 90°
• Cell volume: 831.99 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No