Information card for entry 2010584

Structure parameters

• 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 ų
• 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