Information card for entry 2233537

Structure parameters

• Chemical name: 5-Isopropylimidazolidine-2,4-dione monohydrate
• Formula: C6 H12 N2 O3
• Calculated formula: C6 H12 N2 O3
• SMILES: O=C1N[C@H](C(=O)N1)C(C)C.O
• Title of publication: 5-Isopropylimidazolidine-2,4-dione monohydrate
• Authors of publication: Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Al-Obaid, Abdulrahman M.; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o533
• a: 6.2688 ± 0.0003 Å
• b: 9.2387 ± 0.0004 Å
• c: 14.828 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 858.77 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes