Information card for entry 2235976

Structure parameters

• Chemical name: 1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethan-1-one
• Formula: C15 H14 O4 S
• Calculated formula: C15 H14 O4 S
• SMILES: S(=O)(=O)(c1ccccc1)CC(=O)c1cccc(OC)c1
• Title of publication: 1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethan-1-one
• Authors of publication: Yousuf, Sammer; Iqbal, Sarosh; Ambreen, Nida; Khan, Khalid M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2562
• a: 7.129 ± 0.0006 Å
• b: 9.6101 ± 0.0008 Å
• c: 10.6999 ± 0.0009 Å
• α: 101.787 ± 0.002°
• β: 102.55 ± 0.002°
• γ: 95.879 ± 0.002°
• Cell volume: 692.13 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes