Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7240364
Preview
| Coordinates | 7240364.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H11 Br N4 O2 |
|---|---|
| Calculated formula | C16 H11 Br N4 O2 |
| SMILES | Brc1ccc(cc1)c1ccn2nc(nc2c1C#N)C(=O)OCC |
| Title of publication | A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors |
| Authors of publication | Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 26 |
| Pages of publication | 15554 - 15572 |
| a | 13.8452 ± 0.0019 Å |
| b | 7.5282 ± 0.0011 Å |
| c | 30.459 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3174.7 ± 0.8 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.2489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240364.cif |
| 258033 | 2020-10-06 | cif/ Updating files of 7240361, 7240362, 7240363, 7240364, 7240365, 7240366 Original log message: Adding full bibliography for 7240361--7240366.cif. |
7240364.cif |
| 250975 | 2020-04-21 | cif/ Adding structures of 7240361, 7240362, 7240363, 7240364, 7240365, 7240366 via cif-deposit CGI script. |
7240364.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.