Information card for entry 2221232
Chemical name |
(<i>E</i>)-3-Allylsulfanyl-<i>N</i>-(4-methoxybenzylidene)-5-(3,4,5- trimethoxyphenyl)-4<i>H</i>-1,2,4-triazol-4-amine |
Formula |
C22 H24 N4 O4 S |
Calculated formula |
C22 H24 N4 O4 S |
SMILES |
S(c1n(/N=C/c2ccc(OC)cc2)c(nn1)c1cc(OC)c(OC)c(OC)c1)CC=C |
Title of publication |
(<i>E</i>)-3-Allylsulfanyl-<i>N</i>-(4-methoxybenzylidene)-5-(3,4,5-trimethoxyphenyl)-4<i>H</i>-1,2,4-triazol-4-amine |
Authors of publication |
Li, Qian-Zhu; Song, Bao-An; Yang, Song; Zheng, Yu-Guo; Guo, Qing-Qing |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
3 |
Pages of publication |
o469 |
a |
7.9414 ± 0.0012 Å |
b |
15.043 ± 0.002 Å |
c |
19.047 ± 0.003 Å |
α |
90° |
β |
100.385 ± 0.006° |
γ |
90° |
Cell volume |
2238.1 ± 0.6 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.0423 |
Residual factor for significantly intense reflections |
0.0354 |
Weighted residual factors for significantly intense reflections |
0.0982 |
Weighted residual factors for all reflections included in the refinement |
0.1029 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.073 |
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/2221232.html