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Information card for entry 2022178
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| Coordinates | 2022178.cif |
|---|---|
| Structure factors | 2022178.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine |
|---|---|
| Formula | C13 H9 Cl2 N3 O2 |
| Calculated formula | C13 H9 Cl2 N3 O2 |
| SMILES | Clc1c(N/N=C/c2ccccc2N(=O)=O)c(Cl)ccc1 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (E)-1-(2,6-dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine |
| Authors of publication | Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Bhattarai, Ajaya |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 8 |
| Pages of publication | 1173 |
| a | 7.1138 ± 0.0004 Å |
| b | 12.6827 ± 0.0006 Å |
| c | 15.1613 ± 0.0008 Å |
| α | 90° |
| β | 100.571 ± 0.002° |
| γ | 90° |
| Cell volume | 1344.67 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0609 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253758 (current) | 2020-07-04 | cif/ hkl/ Adding structures of 2022178 via cif-deposit CGI script. |
2022178.cif 2022178.hkl |
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Users of the data should acknowledge the original authors of the
structural data.