Information card for entry 2201627

Structure parameters

• Common name: 2,2-Pentamethylene-4,5-imidazolidinedione
• Formula: C8 H12 N2 O2
• Calculated formula: C8 H12 N2 O2
• SMILES: C12(CCCCC1)NC(=O)C(=O)N2
• Title of publication: 1,4-Diazaspiro[4.5]decane-2,3-dione
• Authors of publication: Daniel Stasko; Matthew C. Davis; Robert D. Chapman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1384 - o1386
• a: 13.671 ± 0.003 Å
• b: 10.641 ± 0.002 Å
• c: 11.781 ± 0.002 Å
• α: 90°
• β: 96.6 ± 0.03°
• γ: 90°
• Cell volume: 1702.5 ± 0.6 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: 0.0791
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes