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Information card for entry 7222974
Preview
| Coordinates | 7222974.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 4y |
|---|---|
| Formula | C26 H14 Br F N4 O2 |
| Calculated formula | C26 H14 Br F N4 O2 |
| SMILES | Brc1ccc(cc1)C(=O)c1nn2c(nc3cc(F)ccc23)c(c1)C(=O)c1c[nH]c2ccccc12 |
| Title of publication | Microwave-Assisted Synthesis in Water: First one-pot Synthesis of A novel Class of Polysubstituted Benzo[4,5]imidazo[1,2-b]pyridazines via Intramolecular SNAr |
| Authors of publication | Behbehani, Haider; Ibrahim, Hamada Mohamed |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 14.361 ± 0.006 Å |
| b | 14.051 ± 0.006 Å |
| c | 11.274 ± 0.004 Å |
| α | 90° |
| β | 108.43 ± 0.007° |
| γ | 90° |
| Cell volume | 2158.3 ± 1.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| 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 | 0.0388 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7222974.cif |
| 169178 | 2015-10-15 | cif/ Adding structures of 7222973, 7222974, 7222975, 7222976 via cif-deposit CGI script. |
7222974.cif |
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Users of the data should acknowledge the original authors of the
structural data.