Information card for entry 4518168
| Formula |
C9 H8 N O5.5 S |
| Calculated formula |
C9 H8 N O5.5 S |
| SMILES |
S1CC(n2c(=O)cc(cc12)C(=O)O)C(=O)O.O |
| Title of publication |
Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives |
| Authors of publication |
Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim |
| Journal of publication |
ACS Omega |
| Year of publication |
2020 |
| Journal volume |
5 |
| Journal issue |
43 |
| Pages of publication |
27756 - 27765 |
| a |
6.2294 ± 0.0008 Å |
| b |
9.8153 ± 0.0016 Å |
| c |
17.133 ± 0.003 Å |
| α |
90° |
| β |
92.88 ± 0.005° |
| γ |
90° |
| Cell volume |
1046.2 ± 0.3 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 K |
| Number of distinct elements |
5 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0425 |
| Residual factor for significantly intense reflections |
0.0388 |
| Weighted residual factors for significantly intense reflections |
0.0749 |
| Weighted residual factors for all reflections included in the refinement |
0.0766 |
| Goodness-of-fit parameter for significantly intense reflections |
1.08 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.09 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4518168.html
