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Information card for entry 2242298
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| Coordinates | 2242298.cif |
|---|---|
| Structure factors | 2242298.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-[2-(4-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol |
|---|---|
| Formula | C24 H21 N3 O3 |
| Calculated formula | C24 H21 N3 O3 |
| SMILES | n1(CC(O)C)c(c2ccc(N(=O)=O)cc2)nc(c2ccccc2)c1c1ccccc1 |
| Title of publication | Crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol |
| Authors of publication | Simpson, Jim; Mohamed, Shaaban K.; Marzouk, Adel A.; Abdelhamid, Antar A.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 9 |
| Pages of publication | 1398 - 1401 |
| a | 12.307 ± 0.0004 Å |
| b | 13.2871 ± 0.0004 Å |
| c | 13.8499 ± 0.0003 Å |
| α | 90.907 ± 0.002° |
| β | 100.748 ± 0.002° |
| γ | 109.938 ± 0.003° |
| Cell volume | 2083.95 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0819 |
| Residual factor for significantly intense reflections | 0.0724 |
| Weighted residual factors for significantly intense reflections | 0.2041 |
| Weighted residual factors for all reflections included in the refinement | 0.2157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200062 (current) | 2017-09-01 | cif/ hkl/ Adding structures of 2242298 via cif-deposit CGI script. |
2242298.cif 2242298.hkl |
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Users of the data should acknowledge the original authors of the
structural data.