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Information card for entry 2244084
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| Coordinates | 2244084.cif |
|---|---|
| Structure factors | 2244084.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-1-[2,2-Dibromo-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene |
|---|---|
| Formula | C14 H8 Br2 F N3 O2 |
| Calculated formula | C14 H8 Br2 F N3 O2 |
| SMILES | BrC(=C(c1ccc(cc1)N(=O)=O)/N=N/c1ccc(cc1)F)Br |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dibromo-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene |
| Authors of publication | Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Bhattarai, Ajaya |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 5 |
| Pages of publication | 530 - 535 |
| a | 16.0658 ± 0.0002 Å |
| b | 7.0329 ± 0.0001 Å |
| c | 12.7934 ± 0.0002 Å |
| α | 90° |
| β | 96.847 ± 0.0006° |
| γ | 90° |
| Cell volume | 1435.21 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0377 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.0955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274831 (current) | 2022-05-03 | cif/ hkl/ Adding structures of 2244084 via cif-deposit CGI script. |
2244084.cif 2244084.hkl |
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Users of the data should acknowledge the original authors of the
structural data.