Information card for entry 2231911

Structure parameters

• Chemical name: 2-Bromo-<i>N</i>-(4-chlorophenyl)-2-methylpropanamide
• Formula: C10 H11 Br Cl N O
• Calculated formula: C10 H11 Br Cl N O
• SMILES: BrC(C)(C(=O)Nc1ccc(Cl)cc1)C
• Title of publication: 2-Bromo-<i>N</i>-(4-chlorophenyl)-2-methylpropanamide
• 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: 10
• Pages of publication: o2580
• a: 9.7449 ± 0.0003 Å
• b: 10.1063 ± 0.0003 Å
• c: 22.8803 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2253.36 ± 0.12 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes