Information card for entry 2207217
Chemical name |
N-[4-(N,N-Diethylamino)benzylidene]-4-phenyl- 5-(1H-1,2,4-triazol-1-yl)thiazol-2-amine |
Formula |
C22 H22 N6 S |
Calculated formula |
C22 H22 N6 S |
SMILES |
s1c(n2ncnc2)c(nc1/N=C/c1ccc(N(CC)CC)cc1)c1ccccc1 |
Title of publication |
<i>N</i>-[4-(<i>N</i>,<i>N</i>-Diethylamino)benzylidene]-4-phenyl-5-(1<i>H</i>-1,2,4-triazol-1-yl)thiazol-2-amine |
Authors of publication |
Zhou, Xin; Shao, Ling; Jin, Zhong; Liu, Jian-Bing; Fang, Jian-Xin |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
11 |
Pages of publication |
o3765 - o3766 |
a |
9.0753 ± 0.0016 Å |
b |
20.924 ± 0.004 Å |
c |
11.518 ± 0.002 Å |
α |
90° |
β |
108.639 ± 0.003° |
γ |
90° |
Cell volume |
2072.5 ± 0.6 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0998 |
Residual factor for significantly intense reflections |
0.0448 |
Weighted residual factors for significantly intense reflections |
0.0956 |
Weighted residual factors for all reflections included in the refinement |
0.1151 |
Goodness-of-fit parameter for all reflections included in the refinement |
1 |
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/2207217.html