Information card for entry 2000972

Structure parameters

• Formula: C8 H10 O3 S
• Calculated formula: C8 H10 O3 S
• SMILES: COc1ccc(cc1)S(=O)(=O)C
• Title of publication: Structure of 4-methoxyphenyl methyl sulfone and a redetermination of the structure of methyl phenyl sulfone
• Authors of publication: Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.; Pedersen, R. T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 717 - 720
• a: 5.638 ± 0.003 Å
• b: 7.828 ± 0.002 Å
• c: 20.045 ± 0.003 Å
• α: 90°
• β: 95.05 ± 0.02°
• γ: 90°
• Cell volume: 881.2 ± 0.5 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No