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Information card for entry 8101069
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| Coordinates | 8101069.cif |
|---|
| Formula | C16 H14 N2 O4 S |
|---|---|
| Calculated formula | C16 H14 N2 O4 S |
| SMILES | S(=O)(=O)(C1=CCN(C1)c1ccc(N(=O)=O)cc1)c1ccccc1 |
| Title of publication | Crystal structure of 1-(4-nitrophenyl)-3-(phenylsulfonyl)-2,5-dihydro- 1H-pyrrole, C~16~H~14~N~2~O~4~S |
| Authors of publication | Pearce, W. A.; 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 | 4 |
| Pages of publication | 529 - 530 |
| a | 6.291 ± 0.006 Å |
| b | 23.73 ± 0.01 Å |
| c | 10.175 ± 0.007 Å |
| α | 90° |
| β | 92.68 ± 0.08° |
| γ | 90° |
| Cell volume | 1517 ± 2 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/n 1 |
| Hall space group symbol | -P 2yn |
| 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.