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Information card for entry 8101041
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| Coordinates | 8101041.cif |
|---|
| Formula | C12 H17 N O3 S2 |
|---|---|
| Calculated formula | C12 H17 N O3 S2 |
| SMILES | S1(=O)(=NS(=O)(=O)c2ccc(C)cc2)CCCCC1 |
| Title of publication | Crystal structure of N1-(1-oxohexahydro-1λ^6^-thiopyran-1-yliden)- 1-benzenesulfonamide, C~12~H~17~NO~3~S~2~ |
| Authors of publication | Creaser, S. P.; Pyke, S. M.; Tiekink, E. R. T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 3 |
| Pages of publication | 447 - 448 |
| a | 6.469 ± 0.004 Å |
| b | 12.193 ± 0.003 Å |
| c | 18.2 ± 0.004 Å |
| α | 90° |
| β | 98.33 ± 0.04° |
| γ | 90° |
| Cell volume | 1420.4 ± 0.9 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.