Information card for entry 2220744

Structure parameters

• Chemical name: 3-(2,6-Dioxopiperidin-3-yl)-3-azabicyclo[3.2.0]heptane-2,4-dione
• Formula: C11 H12 N2 O4
• Calculated formula: C11 H12 N2 O4
• SMILES: O=C1N(C(=O)[C@H]2[C@@H]1CC2)[C@H]1C(=O)NC(=O)CC1.O=C1N(C(=O)[C@@H]2[C@H]1CC2)[C@@H]1C(=O)NC(=O)CC1
• Title of publication: 3-(2,6-Dioxopiperidin-3-yl)-3-azabicyclo[3.2.0]heptane-2,4-dione
• Authors of publication: Hijji, Yousef M.; Benjamin, Ellis; Benjamin, Earl; Butcher, Ray J.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o394 - o395
• a: 10.7332 ± 0.0007 Å
• b: 9.9358 ± 0.0005 Å
• c: 11.0753 ± 0.0007 Å
• α: 90°
• β: 116.201 ± 0.008°
• γ: 90°
• Cell volume: 1059.74 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes