Information card for entry 2101874

Structure parameters

• Common name: 3,3,5,5-tetramethylglutarimide
• Chemical name: 3,3,5,5-tetramethylazacyclohexane-2,6-dione
• Formula: C9 H15 N O2
• Calculated formula: C9 H15 N O2
• SMILES: O=C1NC(=O)C(CC1(C)C)(C)C
• Title of publication: Conformation-Related Reaction Efficiency of Glutarimides with Phenyllithium. Structures of 3,3,5,5-Tetramethylglutarimide and 2-Hydroxy-2-phenyl-3,3,5,5-tetramethyl-6-piperidone. X-ray and Theoretical Study
• Authors of publication: Maurin, Jan K.; Czarnocki, Zbigniew; Paluchowska, Beata; Winnicka-Maurin, Małgorzata
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 719 - 725
• a: 7.715 ± 0.002 Å
• b: 11.136 ± 0.002 Å
• c: 11.707 ± 0.002 Å
• α: 90°
• β: 105.63 ± 0.03°
• γ: 90°
• Cell volume: 968.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.09
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections: 0.2158
• Weighted residual factors for significantly intense reflections: 0.1855
• Goodness-of-fit parameter for all reflections: 1.115
• Goodness-of-fit parameter for significantly intense reflections: 1.272
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No