Information card for entry 2225576

Structure parameters

• Chemical name: 2-(4-Bromophenyl)-2-methylpropanamide
• Formula: C10 H12 Br N O
• Calculated formula: C10 H12 Br N O
• SMILES: Brc1ccc(cc1)C(C)(C)C(=O)N
• Title of publication: 2-(4-Bromophenyl)-2-methylpropanamide
• Authors of publication: Wang, Jian; Li, Hui; Sun, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o925
• a: 16.425 ± 0.008 Å
• b: 6.135 ± 0.003 Å
• c: 10.152 ± 0.005 Å
• α: 90°
• β: 97.613 ± 0.007°
• γ: 90°
• Cell volume: 1014 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes