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Information card for entry 2242828
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| Coordinates | 2242828.cif |
|---|---|
| Structure factors | 2242828.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-1-[2,2-Dichloro-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene |
|---|---|
| Formula | C14 H8 Cl2 F N3 O2 |
| Calculated formula | C14 H8 Cl2 F N3 O2 |
| SMILES | ClC(=C(/N=N/c1ccc(F)cc1)c1ccc(N(=O)=O)cc1)Cl |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene |
| Authors of publication | Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Bagirova, Khanim N.; Toze, Flavien A. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 2 |
| Pages of publication | 237 - 241 |
| a | 15.8644 ± 0.0005 Å |
| b | 7.2242 ± 0.0002 Å |
| c | 12.7595 ± 0.0004 Å |
| α | 90° |
| β | 97.038 ± 0.002° |
| γ | 90° |
| Cell volume | 1451.32 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0401 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213226 (current) | 2019-01-19 | cif/ hkl/ Adding structures of 2242828 via cif-deposit CGI script. |
2242828.cif 2242828.hkl |
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Users of the data should acknowledge the original authors of the
structural data.