Information card for entry 2224019

Structure parameters

• Common name: sulfone
• Chemical name: (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)vinyl]-6-methyl-4<i>H</i>-chromen-4-one
• Formula: C18 H13 Cl O4 S
• Calculated formula: C18 H13 Cl O4 S
• SMILES: S(=O)(=O)(c1ccc(Cl)cc1)/C=C/c1c(=O)c2c(oc1)ccc(c2)C
• Title of publication: (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)vinyl]-6-methyl-4<i>H</i>-chromen-4-one
• Authors of publication: Ravi Kumar, R.; Krishnaiah, M.; Oo, Thanzaw; Kaung, Pho; Jagadeesh Kumar, N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2760
• a: 14.383 ± 0.003 Å
• b: 9.656 ± 0.002 Å
• c: 12.864 ± 0.002 Å
• α: 90°
• β: 112.63 ± 0.002°
• γ: 90°
• Cell volume: 1649 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.2174
• Weighted residual factors for all reflections included in the refinement: 0.2448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes