Information card for entry 1520152

Structure parameters

• Chemical name: adipic acid 2-imidazolidinone
• Formula: C12 H22 N4 O6
• Calculated formula: C12 H22 N4 O6
• SMILES: C(=O)(CCCCC(=O)O)O.C1(=O)NCCN1.C1(=O)NCCN1
• Title of publication: Adipic acid 2-imidazolidinone
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 504
• a: 7.7814 ± 0.0003 Å
• b: 22.3584 ± 0.0011 Å
• c: 9.1957 ± 0.0005 Å
• α: 90°
• β: 103.329 ± 0.003°
• γ: 90°
• Cell volume: 1556.77 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1552
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No