Information card for entry 2212897
Chemical name |
4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine |
Formula |
C11 H18 Cl2 N4 |
Calculated formula |
C11 H18 Cl2 N4 |
SMILES |
CC(Nc1nc(Cl)nc(n1)Cl)(CC(C)(C)C)C |
Title of publication |
4,6-Dichloro-<i>N</i>-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine |
Authors of publication |
Xu, Yan-Jie; Deng, Yi; Wen, Fei; Zhang, Yan |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
4 |
Pages of publication |
o2029 - o2030 |
a |
12.693 ± 0.002 Å |
b |
10.6205 ± 0.0019 Å |
c |
21.437 ± 0.004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2889.8 ± 0.9 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 2 K |
Number of distinct elements |
4 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0803 |
Residual factor for significantly intense reflections |
0.0438 |
Weighted residual factors for significantly intense reflections |
0.1031 |
Weighted residual factors for all reflections included in the refinement |
0.126 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.027 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2212897.html