Information card for entry 2010899

Structure parameters

• Chemical name: 2,2,5,5,8,8-hexamethyl-4,5,7,8-tetrahydroimidazo[1,2-a]pyrazine- -3,6-dione
• Formula: C12 H19 N3 O2
• Calculated formula: C12 H19 N3 O2
• SMILES: N1C(=O)C(N2C(=NC(C2=O)(C)C)C1(C)C)(C)C
• Title of publication: 2,2,5,5,8,8-Hexamethyl-2,3,5,6,7,8-hexahydroimidazo[1,2-<i>a</i>]pyrazine-3,6-dione, a bicyclic product of α-aminoisobutyric acid condensation
• Authors of publication: Basiuk, Vladimir A.; Van Meervelt, Luc; Soloshonok, Vadim A.; Basiuk, Elena V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 598 - 599
• a: 5.902 ± 0.001 Å
• b: 8.628 ± 0.002 Å
• c: 12.949 ± 0.002 Å
• α: 95.02 ± 0.01°
• β: 93.34 ± 0.01°
• γ: 102.45 ± 0.01°
• Cell volume: 639.4 ± 0.2 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes