Information card for entry 2201183

Structure parameters

• Chemical name: dichloromethyl phenyl sulfone
• Formula: C7 H6 Cl2 O2 S
• Calculated formula: C7 H6 Cl2 O2 S
• SMILES: ClC(Cl)S(=O)(=O)c1ccccc1
• Title of publication: Dichloromethyl phenyl sulfone
• Authors of publication: Chan-Yu-King, Roch; Anil, Jose; Meyers, Cal Y.; Robinson, Paul D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o592 - o595
• a: 10.353 ± 0.003 Å
• b: 9.5269 ± 0.001 Å
• c: 18.9124 ± 0.0018 Å
• α: 90°
• β: 91.541 ± 0.014°
• γ: 90°
• Cell volume: 1864.7 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• 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: 0.074
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes