Information card for entry 2100577
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 |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2100577.html