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Information card for entry 2311149
Preview
| Coordinates | 2311149.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-(4-Chlorophenyl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1<i>H</i>-imidazole |
|---|---|
| Formula | C24 H19 Cl N2 |
| Calculated formula | C24 H19 Cl N2 |
| SMILES | Clc1ccc(c2n(c(c(n2)c2ccccc2)c2ccccc2)CC=C)cc1 |
| Title of publication | 2-(4-Chloro-phen-yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole. |
| Authors of publication | Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A. E.; Santoyo-Gonzalez, Francisco; Elremaily, Mahmoud A. A. |
| Journal of publication | Acta crystallographica. Section E, Structure reports online |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | Pt 6 |
| Pages of publication | o875 - 6 |
| a | 10.0916 ± 0.0007 Å |
| b | 13.1386 ± 0.0009 Å |
| c | 15.6155 ± 0.001 Å |
| α | 72.924 ± 0.001° |
| β | 86.849 ± 0.001° |
| γ | 71.83 ± 0.001° |
| Cell volume | 1879 ± 0.2 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 | 0.046 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311149.cif |
| 245621 | 2019-12-25 | cif/ Adding structures of 2311149 via cif-deposit CGI script. |
2311149.cif |
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Users of the data should acknowledge the original authors of the
structural data.