Information card for entry 2224212

Structure parameters

• Chemical name: 2,5-Dichlorothiophene 1,1-dioxide
• Formula: C4 H2 Cl2 O2 S
• Calculated formula: C4 H2 Cl2 O2 S
• SMILES: ClC1=CC=C(S1(=O)=O)Cl
• Title of publication: 2,5-Dichlorothiophene 1,1-dioxide
• Authors of publication: Briggs, Jonathan B.; Jia, Wenling; Jazdzyk, Mikaël D.; Miller, Glen P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3258
• a: 7.588 ± 0.002 Å
• b: 10.584 ± 0.003 Å
• c: 8.745 ± 0.003 Å
• α: 90°
• β: 90.275 ± 0.009°
• γ: 90°
• Cell volume: 702.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes