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Information card for entry 2240709
Preview
| Coordinates | 2240709.cif |
|---|---|
| Structure factors | 2240709.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1-[2-(2,6-Dichlorophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol |
|---|---|
| Formula | C24 H20 Cl2 N2 O |
| Calculated formula | C24 H20 Cl2 N2 O |
| Title of publication | Crystal structure of 1-[2-(2,6-dichlorophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol |
| Authors of publication | Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Marzouk, Adel A.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o299 - o300 |
| a | 12.1468 ± 0.0004 Å |
| b | 8.4194 ± 0.0002 Å |
| c | 20.9636 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2143.92 ± 0.11 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.04 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2240709.cif 2240709.hkl |
| 181907 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240709.cif 2240709.hkl |
| 136865 | 2015-05-18 | cif/ hkl/ Adding structures of 2240709 via cif-deposit CGI script. |
2240709.cif 2240709.hkl |
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Users of the data should acknowledge the original authors of the
structural data.