Information card for entry 2242961
| Chemical name |
Ethyl 2-[5-(3-chlorobenzyl)-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl]acetate |
| Formula |
C21 H19 Cl N2 O3 |
| Calculated formula |
C21 H19 Cl N2 O3 |
| SMILES |
Clc1cc(Cc2cc(nn(c2=O)CC(=O)OCC)c2ccccc2)ccc1 |
| Title of publication |
Crystal structure and Hirshfeld surface analysis of ethyl 2-[5-(3-chlorobenzyl)-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl]acetate |
| Authors of publication |
El Kalai, Fouad; Baydere, Cemile; Daoui, Said; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2019 |
| Journal volume |
75 |
| Journal issue |
6 |
| Pages of publication |
892 - 895 |
| a |
8.841 ± 0.0011 Å |
| b |
10.3043 ± 0.0012 Å |
| c |
11.361 ± 0.0012 Å |
| α |
94.801 ± 0.009° |
| β |
103.596 ± 0.009° |
| γ |
106.905 ± 0.009° |
| Cell volume |
949.6 ± 0.2 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.0979 |
| Residual factor for significantly intense reflections |
0.047 |
| Weighted residual factors for significantly intense reflections |
0.1105 |
| Weighted residual factors for all reflections included in the refinement |
0.1266 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.91 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2242961.html
