Information card for entry 2212207

Structure parameters

• Chemical name: 3,5-dibromo-2,2,6,6-tetramethylpiperidin-4-one
• Formula: C9 H15 Br2 N O
• Calculated formula: C9 H15 Br2 N O
• SMILES: Br[C@H]1C(C)(C)NC([C@@H](Br)C1=O)(C)C
• Title of publication: 3,5-Dibromo-2,2,6,6-tetramethylpiperidin-4-one
• Authors of publication: Jiong Zhao; Dezhi Luan; Ying Qi; Hao Gao; Ling-Huo Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1023 - o1024
• a: 8.8677 ± 0.0018 Å
• b: 21.968 ± 0.004 Å
• c: 6.0078 ± 0.0012 Å
• α: 90°
• β: 107.78 ± 0.03°
• γ: 90°
• Cell volume: 1114.5 ± 0.4 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: 0.0595
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes