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Information card for entry 7249825
Preview
| Coordinates | 7249825.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H10 Cl N3 O |
|---|---|
| Calculated formula | C14 H10 Cl N3 O |
| Title of publication | Isomerization of pirazolopyrimidines to pyrazolopyridines by ring-opening/closing reaction in aqueous NaOH |
| Authors of publication | Cifuentes, Carlos; Bravo, Nestor; Restrepo, Daniel; Macías, Mario; Portilla, Jaime |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 2078 - 2085 |
| a | 6.1624 ± 0.0004 Å |
| b | 9.2368 ± 0.0009 Å |
| c | 11.2678 ± 0.0009 Å |
| α | 89.961 ± 0.007° |
| β | 81.987 ± 0.006° |
| γ | 79.955 ± 0.007° |
| Cell volume | 625.19 ± 0.09 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0528 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1262 |
| Weighted residual factors for all reflections included in the refinement | 0.1327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297434 (current) | 2025-01-23 | cif/ Adding structures of 7249822, 7249823, 7249824, 7249825 via cif-deposit CGI script. |
7249825.cif |
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Users of the data should acknowledge the original authors of the
structural data.