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Information card for entry 2200190
Preview
| Coordinates | 2200190.cif |
|---|---|
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
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