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Information card for entry 2005163
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| Coordinates | 2005163.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C7 H10 Cl N3 O4 S2 |
|---|---|
| Calculated formula | C7 H10 Cl N3 O4 S2 |
| SMILES | O=C(Nc1nnc(s1)S(=O)(=O)Cl)OC(C)(C)C |
| Title of publication | A New Precursor of 1,3,4-Thiadiazolesulfonamides: 5-<i>tert</i>-Butyloxycarbonylamino-1,3,4-thiadiazole-2-sulfonyl Chloride |
| Authors of publication | Pedregosa, J. C.; Borrás, J.; Fustero, S.; García-Granda, S.; Díaz, M. R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1849 - 1851 |
| a | 9.743 ± 0.006 Å |
| b | 19.027 ± 0.004 Å |
| c | 6.973 ± 0.003 Å |
| α | 90° |
| β | 100.68 ± 0.04° |
| γ | 90° |
| Cell volume | 1270.3 ± 1 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.036 |
| Goodness-of-fit parameter for significantly intense reflections | 2.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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