Information card for entry 2221835

Structure parameters

• Chemical name: <i>N</i>-(3-Bromophenyl)acetamide
• Formula: C8 H8 Br N O
• Calculated formula: C8 H8 Br N O
• SMILES: CC(=O)Nc1cccc(c1)Br
• Title of publication: <i>N</i>-(3-Bromophenyl)acetamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Terao, Hiromitsu; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1039
• a: 4.7836 ± 0.0006 Å
• b: 18.765 ± 0.001 Å
• c: 19.379 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1739.5 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes