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Information card for entry 2243864
Preview
| Coordinates | 2243864.cif |
|---|---|
| Structure factors | 2243864.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-4-Chloro-<i>N</i>-{2-[2-(3-chlorobenzylidene)hydrazinyl]-2-oxoethyl}benzenesulfonamide |
|---|---|
| Formula | C15 H13 Cl2 N3 O3 S |
| Calculated formula | C15 H13 Cl2 N3 O3 S |
| SMILES | c1(ccc(cc1)Cl)S(=O)(=O)NCC(=O)N/N=C/c1cc(ccc1)Cl |
| Title of publication | Crystal structures of three <i>N</i>-acylhydrazone isomers |
| Authors of publication | Purandara, H.; Foro, Sabine; Thimme Gowda, B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 8 |
| Pages of publication | 780 - 784 |
| a | 9.491 ± 0.001 Å |
| b | 9.976 ± 0.001 Å |
| c | 10.446 ± 0.001 Å |
| α | 67.22 ± 0.01° |
| β | 66.8 ± 0.01° |
| γ | 86.32 ± 0.01° |
| Cell volume | 833.59 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.0979 |
| Weighted residual factors for all reflections included in the refinement | 0.1078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.216 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267456 (current) | 2021-07-10 | cif/ hkl/ Adding structures of 2243863, 2243864, 2243865 via cif-deposit CGI script. |
2243864.cif 2243864.hkl |
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Users of the data should acknowledge the original authors of the
structural data.