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Information card for entry 2242756
Preview
| Coordinates | 2242756.cif |
|---|---|
| Structure factors | 2242756.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-4-Chloro-<i>N</i>'-[4-(piperidin-1-yl)benzylidene]benzenesulfonohydrazide |
|---|---|
| Formula | C18 H20 Cl N3 O2 S |
| Calculated formula | C18 H20 Cl N3 O2 S |
| SMILES | Clc1ccc(S(=O)(=O)N/N=C/c2ccc(N3CCCCC3)cc2)cc1 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-[4-(piperidin-1-yl)benzylidene]arylsulfonohydrazides |
| Authors of publication | Pai, Nikhila; Foro, Sabine; Gowda, B. Thimme |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 12 |
| Pages of publication | 1826 - 1832 |
| a | 33.052 ± 0.006 Å |
| b | 5.258 ± 0.001 Å |
| c | 43.026 ± 0.008 Å |
| α | 90° |
| β | 94.05 ± 0.02° |
| γ | 90° |
| Cell volume | 7459 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1848 |
| Residual factor for significantly intense reflections | 0.0751 |
| Weighted residual factors for significantly intense reflections | 0.133 |
| Weighted residual factors for all reflections included in the refinement | 0.172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| 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. |
2242756.cif 2242756.hkl |
| 212140 | 2018-11-23 | cif/ hkl/ Adding structures of 2242754, 2242755, 2242756 via cif-deposit CGI script. |
2242756.cif 2242756.hkl |
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Users of the data should acknowledge the original authors of the
structural data.