Information card for entry 2209455

Structure parameters

• Chemical name: 3-Azabicyclo[3.3.1]nonane-2,4-dione
• Formula: C8 H11 N O2
• Calculated formula: C8 H11 N O2
• SMILES: N1C(=O)[C@@H]2C[C@H](C1=O)CCC2
• Title of publication: Powder study of 3-azabicyclo[3.3.1]nonane-2,4-dione form 2
• Authors of publication: Hulme, Ashley T; Fernandes, Philippe; Florence, Alastair; Johnston, Andrea; Shankland, Kenneth
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3046 - o3048
• a: 7.67102 ± 0.00018 Å
• b: 10.5483 ± 0.0002 Å
• c: 18.8867 ± 0.0004 Å
• α: 90°
• β: 95.58 ± 0.0012°
• γ: 90°
• Cell volume: 1521 ± 0.06 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 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
• Goodness-of-fit parameter for all reflections: 4.306
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No