Information card for entry 2230423

Structure parameters

• Chemical name: 2-Bromo-2-methyl-<i>N</i>-<i>p</i>-tolylpropanamide
• Formula: C11 H14 Br N O
• Calculated formula: C11 H14 Br N O
• Title of publication: 2-Bromo-2-methyl-<i>N</i>-<i>p</i>-tolylpropanamide
• Authors of publication: Moreno-Fuquen, Rodolfo; Quintero, David E.; Zuluaga, Fabio; Kennedy, Alan R.; De Almeida Santos, Regina H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1543
• a: 10.0728 ± 0.0004 Å
• b: 11.2577 ± 0.0004 Å
• c: 20.367 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2309.55 ± 0.14 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes