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Information card for entry 2010324
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| Coordinates | 2010324.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,6-Dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,6H)-dione monohydrate |
|---|---|
| Formula | C6 H12 N4 O3 |
| Calculated formula | C6 H12 N4 O3 |
| SMILES | C12NC(=O)N(C1N(C(=O)N2)C)C.O |
| Title of publication | 1,6-Dimethyltetrahydroimidazo[4,5-<i>d</i>]-imidazole-2,5(1<i>H</i>,6<i>H</i>)-dione monohydrate |
| Authors of publication | Dekaprilevich, Marina O.; Suvorova, Lyudmila I.; Khmelnitskii, Lenor I.; Struchkov, Yuri T. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 12 |
| Pages of publication | 2056 - 2058 |
| a | 5.508 ± 0.001 Å |
| b | 10.828 ± 0.002 Å |
| c | 14.363 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 856.6 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0755 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for all reflections | 0.1675 |
| Weighted residual factors for significantly intense reflections | 0.1503 |
| Goodness-of-fit parameter for all reflections | 1.08 |
| Goodness-of-fit parameter for significantly intense reflections | 1.087 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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