Information card for entry 2223261

Structure parameters

• Chemical name: <i>N</i>-(4-Bromo-2-methylphenyl)pivalamide
• Formula: C12 H16 Br N O
• Calculated formula: C12 H16 Br N O
• SMILES: Brc1ccc(c(c1)C)NC(=O)C(C)(C)C
• Title of publication: <i>N</i>-(4-Bromo-2-methylphenyl)pivalamide
• Authors of publication: Qing, Wei-Xia; Zhang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2313
• a: 11.764 ± 0.003 Å
• b: 19.584 ± 0.005 Å
• c: 12.956 ± 0.003 Å
• α: 90°
• β: 117.877 ± 0.019°
• γ: 90°
• Cell volume: 2638.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1831
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes