Information card for entry 1520431

Structure parameters

• Chemical name: N-(3-bromophenyl)acetamide
• Formula: C8 H8 Br N O
• Calculated formula: C8 H8 Br N O
• SMILES: c1(cc(ccc1)Br)NC(=O)C
• Title of publication: N-(3-bromophenyl)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: 1381
• a: 19.855 ± 0.0015 Å
• b: 5.002 ± 0.0005 Å
• c: 18.336 ± 0.0016 Å
• α: 90°
• β: 108.655 ± 0.004°
• γ: 90°
• Cell volume: 1725.4 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No