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Information card for entry 2243908
Preview
| Coordinates | 2243908.cif |
|---|---|
| Structure factors | 2243908.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-4-({2,2-Dichloro-1-[4-(dimethylamino)phenyl]ethenyl}diazenyl)benzonitrile |
|---|---|
| Formula | C17 H14 Cl2 N4 |
| Calculated formula | C17 H14 Cl2 N4 |
| SMILES | ClC(=C(/N=N/c1ccc(cc1)C#N)c1ccc(N(C)C)cc1)Cl |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-({2,2-dichloro-1-[4-(dimethylamino)phenyl]ethenyl}diazenyl)benzonitrile |
| Authors of publication | Shikhaliyev, Namiq Q.; Atioğlu, Zeliha; Akkurt, Mehmet; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mlowe, Sixberth |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 10 |
| a | 12.396 ± 0.003 Å |
| b | 6.528 ± 0.0007 Å |
| c | 20.758 ± 0.003 Å |
| α | 90° |
| β | 104.39 ± 0.02° |
| γ | 90° |
| Cell volume | 1627.1 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.1097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.79475 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269045 (current) | 2021-09-08 | cif/ hkl/ Adding structures of 2243908 via cif-deposit CGI script. |
2243908.cif 2243908.hkl |
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Users of the data should acknowledge the original authors of the
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