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Information card for entry 2311991
Preview
| Coordinates | 2311991.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | (Z)-2-((E)-(4-methoxybenzylidene)hydrazono)-1,2-diphenylethanone |
|---|---|
| Chemical name | (<i>Z</i>)-2-[(<i>E</i>)-(4-Methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone |
| Formula | C22 H18 N2 O2 |
| Calculated formula | C22 H18 N2 O2 |
| SMILES | c1cc(ccc1/C=N/N=C(/c1ccccc1)C(=O)c1ccccc1)OC |
| Title of publication | Theoretical insight into the disordered structure of (Z)-2-[(E)-(4-methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone: the role of noncovalent interactions. |
| Authors of publication | Tan, Xue Jie; Wang, Di; Lei, Xu Gang; Chen, Jun Peng |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | Pt 9 |
| Pages of publication | 1058 - 1067 |
| a | 10.265 ± 0.0006 Å |
| b | 8.0342 ± 0.0005 Å |
| c | 23.4156 ± 0.0013 Å |
| α | 90° |
| β | 102.512 ± 0.006° |
| γ | 90° |
| Cell volume | 1885.2 ± 0.2 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 | 0.0672 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1215 |
| Weighted residual factors for all reflections included in the refinement | 0.1359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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. |
2311991.cif |
| 246232 | 2019-12-27 | cif/ Adding structures of 2311991, 2311992 via cif-deposit CGI script. |
2311991.cif |
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Users of the data should acknowledge the original authors of the
structural data.