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Information card for entry 2243498
Preview
| Coordinates | 2243498.cif |
|---|---|
| Structure factors | 2243498.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(3-nitrobenzylidene)hydrazine |
|---|---|
| Formula | C13 H9 Cl2 N3 O2 |
| Calculated formula | C13 H9 Cl2 N3 O2 |
| SMILES | Clc1c(N/N=C/c2cccc(N(=O)=O)c2)c(Cl)ccc1 |
| Title of publication | (<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(3-nitrobenzylidene)hydrazine: crystal structure and Hirshfeld surface analysis |
| Authors of publication | Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Mlowe, Sixberth |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 8 |
| Pages of publication | 1291 - 1295 |
| a | 7.1212 ± 0.0014 Å |
| b | 12.711 ± 0.003 Å |
| c | 7.6991 ± 0.0016 Å |
| α | 90° |
| β | 105.94 ± 0.007° |
| γ | 90° |
| Cell volume | 670.1 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0604 |
| Weighted residual factors for all reflections included in the refinement | 0.0635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2243498.cif 2243498.hkl |
| 254395 | 2020-07-18 | cif/ hkl/ Adding structures of 2243498 via cif-deposit CGI script. |
2243498.cif 2243498.hkl |
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Users of the data should acknowledge the original authors of the
structural data.