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Information card for entry 2243386
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| Coordinates | 2243386.cif |
|---|---|
| Structure factors | 2243386.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-{2,2-Dichloro-1-[(<i>E</i>)-(4-fluorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline |
|---|---|
| Formula | C16 H14 Cl2 F N3 |
| Calculated formula | C16 H14 Cl2 F N3 |
| SMILES | c1(ccc(cc1)F)/N=N/C(=C(Cl)Cl)c1ccc(cc1)N(C)C |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-(4-fluorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline |
| Authors of publication | Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Shikhaliyeva, Irada M.; Bhattarai, Ajaya |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 6 |
| Pages of publication | 811 - 815 |
| a | 6.073 ± 0.0003 Å |
| b | 15.9782 ± 0.0009 Å |
| c | 16.386 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1590.03 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0473 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251889 (current) | 2020-05-08 | cif/ hkl/ Adding structures of 2243386 via cif-deposit CGI script. |
2243386.cif 2243386.hkl |
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Users of the data should acknowledge the original authors of the
structural data.