Information card for entry 2208457
Chemical name |
2-(2,4-Dichlorophenoxy)-N-(4,6-dimethoxypyrimidin-2-yl)propionamide |
Formula |
C15 H15 Cl2 N3 O4 |
Calculated formula |
C15 H15 Cl2 N3 O4 |
SMILES |
Clc1ccc(OC(C)C(=O)Nc2nc(OC)cc(OC)n2)c(Cl)c1 |
Title of publication |
2-(2,4-Dichlorophenoxy)-<i>N</i>-(4,6-dimethoxypyrimidin-2-yl)propionamide |
Authors of publication |
Liu, Guo-Hua; Xue, Yun-Ning; Yang, Lian-Zhun; Yao, Mei; Xue, Si-Jia |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
3 |
Pages of publication |
o1028 - o1029 |
a |
8.345 ± 0.002 Å |
b |
9.944 ± 0.004 Å |
c |
11.779 ± 0.003 Å |
α |
84.58 ± 0.007° |
β |
71.698 ± 0.005° |
γ |
70.013 ± 0.004° |
Cell volume |
872 ± 0.5 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0779 |
Residual factor for significantly intense reflections |
0.0569 |
Weighted residual factors for significantly intense reflections |
0.1544 |
Weighted residual factors for all reflections included in the refinement |
0.1734 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.982 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2208457.html