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Information card for entry 2006581
Preview
| Coordinates | 2006581.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | N,N'-Di(benzenesulfonyl)sulfamide Dichloromethane Solvate (1/0.5) |
|---|---|
| Formula | C12.5 H13 Cl N2 O6 S3 |
| Calculated formula | C12.5 H13 Cl N2 O6 S3 |
| SMILES | O=S(=O)(NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1.ClCCl |
| Title of publication | Polysulfonylamines. LXXXVII. Bis(benzenesulfonamido) Sulfone–Dichloromethane (1/0.5) |
| Authors of publication | Hiemisch, Oliver; Henschel, Dagmar; Blaschette, Armand; Jones, Peter G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 1429 - 1432 |
| a | 11.6191 ± 0.0014 Å |
| b | 12.576 ± 0.002 Å |
| c | 13.474 ± 0.002 Å |
| α | 106.666 ± 0.01° |
| β | 100.155 ± 0.008° |
| γ | 103.946 ± 0.01° |
| Cell volume | 1765.6 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0828 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for all reflections | 0.0941 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Goodness-of-fit parameter for all reflections | 0.856 |
| Goodness-of-fit parameter for significantly intense reflections | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
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