Information card for entry 2230085

Structure parameters

• Chemical name: 2,6-Dichloro-1-[(1<i>E</i>)-2-(phenylsulfonyl)ethenyl]benzene
• Formula: C14 H10 Cl2 O2 S
• Calculated formula: C14 H10 Cl2 O2 S
• SMILES: S(=O)(=O)(/C=C/c1c(Cl)cccc1Cl)c1ccccc1
• Title of publication: 2,6-Dichloro-1-[(1<i>E</i>)-2-(phenylsulfonyl)ethenyl]benzene
• Authors of publication: South, Michael S.; Obiako, Adirika J.; Sykora, Richard E.; Forbes, David C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1055
• a: 7.5924 ± 0.0006 Å
• b: 8.306 ± 0.0004 Å
• c: 11.336 ± 0.0009 Å
• α: 78.639 ± 0.005°
• β: 84.976 ± 0.007°
• γ: 77.497 ± 0.006°
• Cell volume: 683.49 ± 0.09 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes