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Information card for entry 2010584
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| Coordinates | 2010584.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Folpet |
|---|---|
| Chemical name | 2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione |
| Formula | C9 H4 Cl3 N O2 S |
| Calculated formula | C9 H4 Cl3 N O2 S |
| SMILES | S(N1C(=O)c2ccccc2C1=O)C(Cl)(Cl)Cl |
| Title of publication | 2-Trichloromethylthio-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (Folpet) |
| Authors of publication | Carle, A. Björn; Krause Bauer, Jeanette A.; Wilson, R. Marshall |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 97 - 98 |
| a | 9.7666 ± 0.0019 Å |
| b | 5.7576 ± 0.0012 Å |
| c | 19.754 ± 0.003 Å |
| α | 90° |
| β | 94.905 ± 0.014° |
| γ | 90° |
| Cell volume | 1106.7 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 all reflections | 0.15 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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