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Information card for entry 2243878
Preview
| Coordinates | 2243878.cif |
|---|---|
| Structure factors | 2243878.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2<i>Z</i>)-<i>N</i>,<i>N</i>-Dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide |
|---|---|
| Formula | C16 H12 F5 N3 O |
| Calculated formula | C16 H12 F5 N3 O |
| SMILES | c1(c(c(c(c(c1/C(=N/Nc1ccccc1)C(=O)N(C)C)F)F)F)F)F |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (2<i>Z</i>)-<i>N</i>,<i>N</i>-dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide |
| Authors of publication | Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Niyazova, Aytan A.; Mlowe, Sixberth |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 8 |
| Pages of publication | 829 - 833 |
| a | 19.0048 ± 0.0006 Å |
| b | 11.5216 ± 0.0004 Å |
| c | 17.2227 ± 0.0006 Å |
| α | 90° |
| β | 116.526 ± 0.001° |
| γ | 90° |
| Cell volume | 3374.2 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0506 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1294 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267732 (current) | 2021-07-24 | cif/ hkl/ Adding structures of 2243878 via cif-deposit CGI script. |
2243878.cif 2243878.hkl |
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Users of the data should acknowledge the original authors of the
structural data.