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Information card for entry 2242787
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| Coordinates | 2242787.cif |
|---|---|
| Structure factors | 2242787.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Allyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine |
|---|---|
| Formula | C15 H11 Br Cl N3 |
| Calculated formula | C15 H11 Br Cl N3 |
| SMILES | Brc1cc2nc(nc2n(c1)CC=C)c1ccc(Cl)cc1 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 4-allyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine |
| Authors of publication | Bourichi, Selma; Kandri Rodi, Youssef; Hökelek, Tuncer; Haoudi, Amal; Renard, Catherine; Capet, Frédéric |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 1 |
| Pages of publication | 43 - 48 |
| a | 7.6218 ± 0.0005 Å |
| b | 8.5238 ± 0.0005 Å |
| c | 11.1093 ± 0.0007 Å |
| α | 95.739 ± 0.003° |
| β | 98.88 ± 0.003° |
| γ | 94.979 ± 0.003° |
| Cell volume | 705.66 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0535 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212636 (current) | 2018-12-18 | cif/ hkl/ Adding structures of 2242787 via cif-deposit CGI script. |
2242787.cif 2242787.hkl |
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Users of the data should acknowledge the original authors of the
structural data.