Information card for entry 7128236
| Formula |
C13 H9 N3 S |
| Calculated formula |
C13 H9 N3 S |
| SMILES |
s1nc(nc1c1ncccc1)c1ccccc1 |
| Title of publication |
Iodide-promoted transformations of imidazopyridines into sulfur-bridged imidazopyridines or 1,2,4-thiadiazoles. |
| Authors of publication |
Ma, Shi-Tang; Zhu, Xiao-Xiao; Xu, Jing-Yu; Li, Ying; Zhang, Xiao-Mei; Feng, Cheng-Tao; Yan, Yizhe |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2021 |
| Journal volume |
57 |
| Journal issue |
43 |
| Pages of publication |
5338 - 5341 |
| a |
12.8409 ± 0.0015 Å |
| b |
15.0587 ± 0.0015 Å |
| c |
12.4189 ± 0.0014 Å |
| α |
90° |
| β |
106.043 ± 0.004° |
| γ |
90° |
| Cell volume |
2307.9 ± 0.4 Å3 |
| Cell temperature |
296.15 K |
| Ambient diffraction temperature |
296.15 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0777 |
| Residual factor for significantly intense reflections |
0.0438 |
| Weighted residual factors for significantly intense reflections |
0.1023 |
| Weighted residual factors for all reflections included in the refinement |
0.1209 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7128236.html
