Information card for entry 2243081
| Chemical name |
4-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl benzoate |
| Formula |
C20 H19 N3 O4 S |
| Calculated formula |
C20 H19 N3 O4 S |
| Title of publication |
The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl derivatives |
| Authors of publication |
NizamMohideen, M.; Syed Abuthahir, S.; Viswanathan, V.; Velmurugan, D.; Karthik Ananth, M. |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2019 |
| Journal volume |
75 |
| Journal issue |
10 |
| Pages of publication |
1436 - 1444 |
| a |
6.7559 ± 0.0001 Å |
| b |
16.9258 ± 0.0002 Å |
| c |
19.0611 ± 0.0003 Å |
| α |
110.447 ± 0.001° |
| β |
96.854 ± 0.002° |
| γ |
93.37 ± 0.001° |
| Cell volume |
2015.84 ± 0.05 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0877 |
| Residual factor for significantly intense reflections |
0.0596 |
| Weighted residual factors for significantly intense reflections |
0.184 |
| Weighted residual factors for all reflections included in the refinement |
0.2256 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.83 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2243081.html
