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Information card for entry 2242688
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| Coordinates | 2242688.cif |
|---|---|
| Structure factors | 2242688.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-4-Chloro-<i>N</i>'-(4-methylbenzylidene)benzenesulfonohydrazide |
|---|---|
| Formula | C14 H13 Cl N2 O2 S |
| Calculated formula | C14 H13 Cl N2 O2 S |
| SMILES | Clc1ccc(S(=O)(=O)N/N=C/c2ccc(cc2)C)cc1 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-benzylidene-4-chlorobenzenesulfonohydrazide and of its (<i>E</i>)-4-chloro-<i>N</i>'-(<i>ortho</i>- and <i>para</i>-methylbenzylidene)benzenesulfonohydrazide derivatives |
| Authors of publication | Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 11 |
| Pages of publication | 1613 - 1618 |
| a | 9.406 ± 0.001 Å |
| b | 5.8353 ± 0.0006 Å |
| c | 26.93 ± 0.002 Å |
| α | 90° |
| β | 99.621 ± 0.009° |
| γ | 90° |
| Cell volume | 1457.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0569 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
2242688.cif 2242688.hkl |
| 211568 | 2018-10-20 | cif/ hkl/ Adding structures of 2242686, 2242687, 2242688 via cif-deposit CGI script. |
2242688.cif 2242688.hkl |
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Users of the data should acknowledge the original authors of the
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