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Information card for entry 2242878
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| Coordinates | 2242878.cif |
|---|---|
| Structure factors | 2242878.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-1-(4-Chlorophenyl)-2-[2,2-dichloro-1-(4-fluorophenyl)ethenyl]\ diazene |
|---|---|
| Formula | C14 H8 Cl3 F N2 |
| Calculated formula | C14 H8 Cl3 F N2 |
| SMILES | ClC(Cl)=C(/N=N/c1ccc(Cl)cc1)c1ccc(F)cc1 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-fluorophenyl)ethenyl]diazene |
| Authors of publication | Shikhaliyev, Namiq Q.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Bagirova, Khanim N.; Suleymanova, Gulnar T.; Toze, Flavien A. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| Pages of publication | 465 - 469 |
| a | 3.8617 ± 0.0008 Å |
| b | 24.249 ± 0.005 Å |
| c | 14.724 ± 0.003 Å |
| α | 90° |
| β | 94.3 ± 0.03° |
| γ | 90° |
| Cell volume | 1374.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0563 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.1419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.80246 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214378 (current) | 2019-03-27 | cif/ hkl/ Adding structures of 2242878 via cif-deposit CGI script. |
2242878.cif 2242878.hkl |
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Users of the data should acknowledge the original authors of the
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