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Information card for entry 2243873
Preview
| Coordinates | 2243873.cif |
|---|---|
| Structure factors | 2243873.hkl |
| Original IUCr paper | HTML |
| Common name | 1,3-Bis{2,2-dichloro-1-[(<i>E</i>)-phenyldiazenyl]ethenyl}benzene |
|---|---|
| Chemical name | (<i>E</i>)-[2,2-Dichloro-1-(3-{2,2-dichloro-1-[(<i>E</i>)-2-phenyldiazen-1-yl]ethenyl}phenyl)ethenyl](phenyl)diazene |
| Formula | C22 H14 Cl4 N4 |
| Calculated formula | C22 H14 Cl4 N4 |
| SMILES | ClC(=C(/N=N/c1ccccc1)c1cc(ccc1)C(=C(Cl)Cl)/N=N/c1ccccc1)Cl |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 1,3-bis{2,2-dichloro-1-[(<i>E</i>)-phenyldiazenyl]ethenyl}benzene |
| Authors of publication | Shikhaliyev, Namiq Q.; Atioğlu, Zeliha; Akkurt, Mehmet; Ahmadova, Nigar E.; Askerov, Rizvan K.; Bhattarai, Ajaya |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 8 |
| Pages of publication | 814 - 818 |
| a | 16.0289 ± 0.001 Å |
| b | 13.1213 ± 0.0008 Å |
| c | 11.1286 ± 0.0007 Å |
| α | 90° |
| β | 108.073 ± 0.002° |
| γ | 90° |
| Cell volume | 2225.1 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0702 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267667 (current) | 2021-07-21 | cif/ hkl/ Adding structures of 2243873 via cif-deposit CGI script. |
2243873.cif 2243873.hkl |
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