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Information card for entry 2242673
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| Coordinates | 2242673.cif |
|---|---|
| Structure factors | 2242673.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-4-Chloro-<i>N</i>'-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate |
|---|---|
| Formula | C9 H10 Cl N3 O4 S2 |
| Calculated formula | C9 H10 Cl N3 O4 S2 |
| SMILES | Clc1ccc(S(=O)(=O)N/N=C2\SCC(=O)N2)cc1.O |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-4-chloro-<i>N</i>'-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate |
| Authors of publication | Pai, Nikhila; Foro, Sabine; Thimme Gowda, B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 11 |
| Pages of publication | 1569 - 1573 |
| a | 7.6276 ± 0.0006 Å |
| b | 11.09 ± 0.001 Å |
| c | 17.116 ± 0.002 Å |
| α | 96.95 ± 0.01° |
| β | 99.49 ± 0.01° |
| γ | 106.08 ± 0.01° |
| Cell volume | 1350.8 ± 0.2 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 | 0.0896 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1442 |
| Weighted residual factors for all reflections included in the refinement | 0.1607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211459 (current) | 2018-10-13 | cif/ hkl/ Adding structures of 2242673 via cif-deposit CGI script. |
2242673.cif 2242673.hkl |
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Users of the data should acknowledge the original authors of the
structural data.