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Information card for entry 2243907
Preview
| Coordinates | 2243907.cif |
|---|---|
| Structure factors | 2243907.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-1-[2,2-Dichloro-1-(4-methylphenyl)ethenyl]-2-(4-methoxyphenyl)diazene |
|---|---|
| Formula | C16 H14 Cl2 N2 O |
| Calculated formula | C16 H14 Cl2 N2 O |
| SMILES | ClC(=C(/N=N/c1ccc(OC)cc1)c1ccc(cc1)C)Cl |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dichloro-1-(4-methylphenyl)ethenyl]-2-(4-methoxyphenyl)diazene |
| Authors of publication | Shikhaliyev, Namiq Q.; Atioğlu, Zeliha; Akkurt, Mehmet; Qacar, Ayten M.; Askerov, Rizvan K.; Bhattarai, Ajaya |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| Pages of publication | 965 - 970 |
| a | 5.5366 ± 0.0003 Å |
| b | 17.9208 ± 0.0008 Å |
| c | 16.2085 ± 0.0008 Å |
| α | 90° |
| β | 99.173 ± 0.002° |
| γ | 90° |
| Cell volume | 1587.65 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1113 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1202 |
| Weighted residual factors for all reflections included in the refinement | 0.1449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268277 (current) | 2021-08-28 | cif/ hkl/ Adding structures of 2243907 via cif-deposit CGI script. |
2243907.cif 2243907.hkl |
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Users of the data should acknowledge the original authors of the
structural data.