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Information card for entry 2022790
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| Coordinates | 2022790.cif |
|---|---|
| Structure factors | 2022790.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-1-[1-(4-<i>tert</i>-Butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene |
|---|---|
| Formula | C18 H18 Cl2 N2 |
| Calculated formula | C18 H18 Cl2 N2 |
| Title of publication | Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methylphenyl)diazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene and (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(3-methylphenyl)diazene |
| Authors of publication | Maharramov, Abel; Shikhaliyev, Namiq Q.; Qajar, Ayten; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 7 |
| a | 31.7847 ± 0.0008 Å |
| b | 6.0289 ± 0.0001 Å |
| c | 23.722 ± 0.0006 Å |
| α | 90° |
| β | 132.669 ± 0.004° |
| γ | 90° |
| Cell volume | 3342.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0406 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284694 (current) | 2023-06-29 | cif/ hkl/ Adding structures of 2022790, 2022791, 2022792, 2022793 via cif-deposit CGI script. |
2022790.cif 2022790.hkl |
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