Information card for entry 2220358
Chemical name |
1-[2-(2,4-Dichlorobenzyloxy)-2-phenylethyl]-1<i>H</i>-1,2,4-triazole |
Formula |
C17 H15 Cl2 N3 O |
Calculated formula |
C17 H15 Cl2 N3 O |
SMILES |
Clc1ccc(COC(Cn2ncnc2)c2ccccc2)c(Cl)c1 |
Title of publication |
1-[2-(2,4-Dichlorobenzyloxy)-2-phenylethyl]-1<i>H</i>-1,2,4-triazole |
Authors of publication |
Özel Güven, Özden; Tahtacı, Hakan; Tahir, M. Nawaz; Hökelek, Tuncer |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
12 |
Pages of publication |
o2465 |
a |
10.563 ± 0.0003 Å |
b |
13.7933 ± 0.0005 Å |
c |
11.4437 ± 0.0004 Å |
α |
90° |
β |
101.84 ± 0.002° |
γ |
90° |
Cell volume |
1631.86 ± 0.1 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0518 |
Residual factor for significantly intense reflections |
0.0367 |
Weighted residual factors for significantly intense reflections |
0.0925 |
Weighted residual factors for all reflections included in the refinement |
0.1041 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
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/2220358.html