Information card for entry 2100577

Structure parameters

• 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 ų
• 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