Information card for entry 1552534
| Formula |
C18 H18 Cl2 N2 O4 S |
| Calculated formula |
C18 H18 Cl2 N2 O4 S |
| SMILES |
s1nc(Cl)c(Cl)c1C(=C\C(=O)N1CCOCC1)/c1ccc(OC)c(OC)c1 |
| Title of publication |
Discovery of Novel Isothiazole, 1,2,3-Thiadiazole, and Thiazole-Based Cinnamamides as Fungicidal Candidates. |
| Authors of publication |
Chen, Lai; Zhao, Bin; Fan, Zhijin; Hu, Mengxu; Li, Qing; Hu, Wenhao; Li, Jiwei; Zhang, Jinlin |
| Journal of publication |
Journal of agricultural and food chemistry |
| Year of publication |
2019 |
| a |
8.6136 ± 0.0012 Å |
| b |
11.249 ± 0.0015 Å |
| c |
11.7697 ± 0.0017 Å |
| α |
113.582 ± 0.001° |
| β |
108.764 ± 0.002° |
| γ |
96.299 ± 0.002° |
| Cell volume |
951.6 ± 0.2 Å3 |
| Cell temperature |
113 ± 2 K |
| Ambient diffraction temperature |
113 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0312 |
| Residual factor for significantly intense reflections |
0.0294 |
| Weighted residual factors for significantly intense reflections |
0.0825 |
| Weighted residual factors for all reflections included in the refinement |
0.0835 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.077 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1552534.html
