Information card for entry 2214880

Structure parameters

• Common name: 5-Fluoroisatin–dimethyl sufoxide (1/1)
• Chemical name: 5-fluoroindoline-2,3-dione–dimethyl sulfoxide (1/1)
• Formula: C10 H10 F N O3 S
• Calculated formula: C10 H10 F N O3 S
• SMILES: C1(=O)C(=O)c2cc(ccc2N1)F.CS(C)=O
• Title of publication: 5-Fluoroisatin–dimethyl sufoxide (1/1)
• Authors of publication: Mohamed, Sharmarke; Barnett, Sarah A.; Tocher, Derek A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3576 - o3576
• a: 8.2828 ± 0.0013 Å
• b: 8.3702 ± 0.0013 Å
• c: 8.7613 ± 0.0014 Å
• α: 91.326 ± 0.002°
• β: 117.099 ± 0.002°
• γ: 97.337 ± 0.002°
• Cell volume: 534.02 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes