Information card for entry 2312422
Chemical name |
4-(4-Chlorophenyl)-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole |
Formula |
C17 H11 Cl N6 |
Calculated formula |
C17 H11 Cl N6 |
Title of publication |
Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles. |
Authors of publication |
Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru |
Journal of publication |
Acta crystallographica. Section C, Structural chemistry |
Year of publication |
2024 |
Journal volume |
80 |
Journal issue |
4 |
a |
8.5105 ± 0.0013 Å |
b |
9.3681 ± 0.0014 Å |
c |
10.8959 ± 0.0016 Å |
α |
81.355 ± 0.002° |
β |
82.482 ± 0.002° |
γ |
67.388 ± 0.002° |
Cell volume |
790.3 ± 0.2 Å3 |
Cell temperature |
293.15 K |
Ambient diffraction temperature |
293.15 K |
Number of distinct elements |
4 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0456 |
Residual factor for significantly intense reflections |
0.0387 |
Weighted residual factors for significantly intense reflections |
0.0984 |
Weighted residual factors for all reflections included in the refinement |
0.1021 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.069 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2312422.html