Information card for entry 7061444
| Formula |
C16 H11 Cl N2 O S2 |
| Calculated formula |
C16 H11 Cl N2 O S2 |
| Title of publication |
Design, synthesis and antifungal mechanism of novel acetophenone derivatives containing 1,3,4-thiadiazole-2-thioethers |
| Authors of publication |
Dou, Li; Shi, Huabin; Niu, Xue; Zhang, Hong; Zhang, Kankan; Wu, Zhibing |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2022 |
| Journal volume |
46 |
| Journal issue |
19 |
| Pages of publication |
9017 - 9023 |
| a |
8.1736 ± 0.0004 Å |
| b |
8.9413 ± 0.0004 Å |
| c |
12.3309 ± 0.0006 Å |
| α |
105.112 ± 0.002° |
| β |
93.31 ± 0.002° |
| γ |
111.564 ± 0.002° |
| Cell volume |
797.19 ± 0.07 Å3 |
| Cell temperature |
273 ± 2 K |
| Ambient diffraction temperature |
273.15 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 |
0.0984 |
| Residual factor for significantly intense reflections |
0.0953 |
| Weighted residual factors for significantly intense reflections |
0.2294 |
| Weighted residual factors for all reflections included in the refinement |
0.2356 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.119 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7061444.html
