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Information card for entry 2100577
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| Coordinates | 2100577.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 1,3,5-tris(2-hydroxyethyl)cyanuric acid |
|---|---|
| Chemical name | 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione |
| Formula | C9 H15 N3 O6 |
| Calculated formula | C9 H15 N3 O6 |
| SMILES | N1(CCO)C(=O)N(CCO)C(=O)N(CCO)C1=O |
| Title of publication | Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives |
| Authors of publication | Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. |
| Journal of publication | Acta Crystallographica, Section B |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 2 |
| Pages of publication | 864 - 874 |
| a | 10.4105 ± 0.0003 Å |
| b | 13.1294 ± 0.0005 Å |
| c | 8.6735 ± 0.0003 Å |
| α | 90° |
| β | 98.222 ± 0.002° |
| γ | 90° |
| Cell volume | 1173.34 ± 0.07 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 21/n |
| Hall space group symbol | -P 2yn |
| Goodness-of-fit parameter for all reflections | 1.475 |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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