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Information card for entry 7240361
Preview
| Coordinates | 7240361.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H14 N4 O2 |
|---|---|
| Calculated formula | C17 H14 N4 O2 |
| SMILES | O=C(OCC)c1nc2n(n1)ccc(c2C#N)c1ccc(cc1)C |
| 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 | 16.0432 ± 0.0014 Å |
| b | 9.9874 ± 0.0009 Å |
| c | 18.9604 ± 0.0014 Å |
| α | 90° |
| β | 101.956 ± 0.008° |
| γ | 90° |
| Cell volume | 2972.1 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 significantly intense reflections | 0.0638 |
| Weighted residual factors for all reflections included in the refinement | 0.2194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
7240361.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. |
7240361.cif |
| 250975 | 2020-04-21 | cif/ Adding structures of 7240361, 7240362, 7240363, 7240364, 7240365, 7240366 via cif-deposit CGI script. |
7240361.cif |
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Users of the data should acknowledge the original authors of the
structural data.