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Information card for entry 2011393
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| Coordinates | 2011393.cif |
|---|---|
| Structure factors | 2011393.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-cyano-2-hydroxy-N-[3-(methylsulphonyl)phenyl]but-2-enamide |
|---|---|
| Formula | C12 H12 N2 O4 S |
| Calculated formula | C12 H12 N2 O4 S |
| Title of publication | Three leflunomide metabolite analogs |
| Authors of publication | Ghosh, Sutapa; Jennissen, Jason D.; Zheng, Yaguo; Uckun, Fatih M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 10 |
| Pages of publication | 1254 - 1257 |
| a | 5.4734 ± 0.0003 Å |
| b | 11.4048 ± 0.0006 Å |
| c | 11.52 ± 0.0006 Å |
| α | 115.478 ± 0.001° |
| β | 95.941 ± 0.001° |
| γ | 93.035 ± 0.001° |
| Cell volume | 641.88 ± 0.06 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.04 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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