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Information card for entry 1546661
Preview
| Coordinates | 1546661.cif |
|---|---|
| Structure factors | 1546661.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-[4,5-Diphenyl-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-yl]ethanol |
|---|---|
| Formula | C22 H19 N3 O |
| Calculated formula | C22 H19 N3 O |
| SMILES | OCCn1c(nc(c1c1ccccc1)c1ccccc1)c1ccncc1 |
| Title of publication | 2-[4,5-Diphenyl-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-yl]ethanol |
| Authors of publication | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Albayati, Mustafa R. |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 1 |
| Pages of publication | x170132 |
| a | 5.7619 ± 0.0002 Å |
| b | 22.1304 ± 0.0006 Å |
| c | 13.6271 ± 0.0004 Å |
| α | 90° |
| β | 99.102 ± 0.001° |
| γ | 90° |
| Cell volume | 1715.75 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1546661.cif 1546661.hkl |
| 199255 | 2017-07-25 | cif/ hkl/ Adding structures of 1546661 via cif-deposit CGI script. |
1546661.cif 1546661.hkl |
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Users of the data should acknowledge the original authors of the
structural data.