Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7249824
Preview
| Coordinates | 7249824.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H13 N3 O |
|---|---|
| Calculated formula | C15 H13 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 | 6.916 ± 0.0008 Å |
| b | 8.9551 ± 0.0008 Å |
| c | 10.3411 ± 0.0006 Å |
| α | 95.113 ± 0.006° |
| β | 98.415 ± 0.008° |
| γ | 90.754 ± 0.008° |
| Cell volume | 630.82 ± 0.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0573 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1358 |
| Weighted residual factors for all reflections included in the refinement | 0.1429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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. |
7249824.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.