Information card for entry 1544243
Chemical name |
1-(Pyridin-4-yl)-3-(2,4,6-trichlorophenyl)benz[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one |
Formula |
C20 H10 Cl3 N5 O |
Calculated formula |
C20 H10 Cl3 N5 O |
SMILES |
Clc1c(n2nc(n3c(c2=O)nc2ccccc32)c2ccncc2)c(Cl)cc(Cl)c1 |
Title of publication |
1-(Pyridin-4-yl)-3-(2,4,6-trichlorophenyl)benz[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one |
Authors of publication |
Abu Thaher, Bassam; Schollmeyer, Dieter; Qeshta, Basem; Wahedy, Kanan M.; Almasri, Ihab M.; Morjan, Rami Y.; Deigner, Hans-Peter |
Journal of publication |
IUCrData |
Year of publication |
2016 |
Journal volume |
1 |
Journal issue |
10 |
Pages of publication |
x161529 |
a |
19.5521 ± 0.0012 Å |
b |
15.1072 ± 0.0005 Å |
c |
15.5543 ± 0.0009 Å |
α |
90° |
β |
126.057 ± 0.004° |
γ |
90° |
Cell volume |
3714.3 ± 0.4 Å3 |
Cell temperature |
193 ± 2 K |
Ambient diffraction temperature |
193 ± 2 K |
Number of distinct elements |
5 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.059 |
Residual factor for significantly intense reflections |
0.0413 |
Weighted residual factors for significantly intense reflections |
0.104 |
Weighted residual factors for all reflections included in the refinement |
0.1133 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
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/1544243.html