Information card for entry 2224099

Structure parameters

• Chemical name: 5-Chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
• Formula: C15 H10 Cl F O2 S
• Calculated formula: C15 H10 Cl F O2 S
• SMILES: S(c1c2cc(ccc2oc1c1ccc(cc1)F)Cl)(=O)C
• Title of publication: 5-Chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
• Authors of publication: Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2649
• a: 7.8484 ± 0.0002 Å
• b: 8.3176 ± 0.0002 Å
• c: 10.7353 ± 0.0002 Å
• α: 95.637 ± 0.001°
• β: 91.975 ± 0.001°
• γ: 112.372 ± 0.001°
• Cell volume: 642.95 ± 0.03 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes