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Information card for entry 2241981
Preview
| Coordinates | 2241981.cif |
|---|---|
| Structure factors | 2241981.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1-[2-(4-Chlorophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol |
|---|---|
| Formula | C24 H21 Cl N2 O |
| Calculated formula | C24 H21 Cl N2 O |
| SMILES | n1(CC(O)C)c(c2ccc(Cl)cc2)nc(c2ccccc2)c1c1ccccc1 |
| Title of publication | Crystal structure of 1-[2-(4-chlorophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol |
| Authors of publication | Mohamed, Shaaban K.; Marzouk, Adel A.; Albayati, Mustafa R.; Abdelhamid, Antar A.; Simpson, Jim |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 1 |
| Pages of publication | 59 - 62 |
| a | 12.0235 ± 0.0008 Å |
| b | 13.4263 ± 0.0007 Å |
| c | 13.6588 ± 0.0004 Å |
| α | 90.297 ± 0.003° |
| β | 98.481 ± 0.004° |
| γ | 110.48 ± 0.005° |
| Cell volume | 2039.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0823 |
| Residual factor for significantly intense reflections | 0.0711 |
| Weighted residual factors for significantly intense reflections | 0.1808 |
| Weighted residual factors for all reflections included in the refinement | 0.1877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241981.cif 2241981.hkl |
| 189160 | 2016-12-17 | cif/ hkl/ Adding structures of 2241981 via cif-deposit CGI script. |
2241981.cif 2241981.hkl |
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Users of the data should acknowledge the original authors of the
structural data.