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Information card for entry 1573679
Preview
| Coordinates | 1573679.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 5,5-Diphenyl-2-[2-(propan-2-ylidene)hydrazin-1-yl]-4,5-dihydro-1<i>H</i>-imidazol-4-one <i>N</i>,<i>N</i>-dimethylformamide hemisolvate |
|---|---|
| Formula | C19.5 H21.5 N4.5 O1.5 |
| Calculated formula | C19.5 H21.5 N4.5 O1.5 |
| SMILES | O=C1N=C(NC1(c1ccccc1)c1ccccc1)NN=C(C)C.O=CN(C)C |
| Authors of publication | El Moutaouakil Ala Allah, Abderrazzak; M. Kariuki, Benson; Guerrab, Walid; Alsubari, Abdulsalam; A. Said, Musa; Mague, Joel T.; Ramli, Youssef |
| Journal of publication | Acta Crystallographica, Section E: Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 2 |
| Pages of publication | 109 - 113 |
| a | 9.1009 ± 0.0003 Å |
| b | 11.0914 ± 0.0006 Å |
| c | 18.5952 ± 0.0009 Å |
| α | 81.381 ± 0.004° |
| β | 83.221 ± 0.003° |
| γ | 86.838 ± 0.003° |
| Cell volume | 1841.52 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0905 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1489 |
| Weighted residual factors for all reflections included in the refinement | 0.1734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1573679.html
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Users of the data should acknowledge the original authors of the
structural data.