Information card for entry 2232611

Structure parameters

• Chemical name: 3,5-Dibromo-4-oxo-2,2,6,6-tetramethylpiperidin-1-yl oxide
• Formula: C9 H14 Br2 N O2
• Calculated formula: C9 H14 Br2 N O2
• SMILES: O=C1[C@H](Br)C(C)(C)[N](C([C@@H]1Br)(C)C)=O
• Title of publication: 3,5-Dibromo-4-oxo-2,2,6,6-tetramethylpiperidin-1-yl oxide
• Authors of publication: Zhu, Guang-Zhou; Xu, Suo-Ping; Li, Cui-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3262
• a: 11.6745 ± 0.0009 Å
• b: 16.0848 ± 0.0014 Å
• c: 5.9301 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1113.57 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes