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Information card for entry 2311988
Preview
| Coordinates | 2311988.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>Z</i>)-1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-3-(4-methylphenyl)-1-phenylallylidene]hydrazine |
|---|---|
| Formula | C22 H18 N4 O4 |
| Calculated formula | C22 H18 N4 O4 |
| SMILES | N(=C(c1ccccc1)/C=C/c1ccc(cc1)C)\Nc1c(N(=O)=O)cc(N(=O)=O)cc1 |
| Title of publication | Two hydrazones derived from 1-aryl-3-(p-substituted phenyl)prop-2-en-1-one: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties. |
| Authors of publication | Dammene Debbih, Ouafa; Sid, Assia; Bouchene, Rafika; Bouacida, Sofiane; Mazouz, Wissam; Gherraf, Noureddine |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | Pt 6 |
| Pages of publication | 703 - 714 |
| a | 7.252 ± 0.0003 Å |
| b | 19.7485 ± 0.001 Å |
| c | 14.0347 ± 0.0006 Å |
| α | 90° |
| β | 95.058 ± 0.002° |
| γ | 90° |
| Cell volume | 2002.17 ± 0.16 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0906 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Weighted residual factors for all reflections included in the refinement | 0.17 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| 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. |
2311988.cif |
| 246230 | 2019-12-27 | cif/ Adding structures of 2311988, 2311989 via cif-deposit CGI script. |
2311988.cif |
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