Information card for entry 2200190

Structure parameters

• Chemical name: 5-(1-Acetamido-3-methyl)butyl-5methyl-2,4-imidazolidinedione
• Formula: C11 H21 N3 O4
• Calculated formula: C11 H21 N3 O4
• SMILES: O=C1N[C@]([C@H](NC(=O)C)CC(C)C)(C(=O)N1)C.O.O=C1N[C@@]([C@@H](NC(=O)C)CC(C)C)(C(=O)N1)C.O
• Title of publication: 5-(1-Acetamido-3-methylbutyl)-5-methylimidazolidine-2,4-dione monohydrate
• Authors of publication: SethuSankar, K.; Thennarasu, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Perumal, P.T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: o377 - o379
• a: 6.277 ± 0.0001 Å
• b: 19.708 ± 0.0004 Å
• c: 11.9399 ± 0.0001 Å
• α: 90°
• β: 101.64°
• γ: 90°
• Cell volume: 1446.67 ± 0.04 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: 0.0815
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No