Information card for entry 2235840

Structure parameters

• Chemical name: (<i>Z</i>)-1-(4-Methylphenyl)-2-(phenylsulfonyl)ethanone oxime
• Formula: C15 H15 N O3 S
• Calculated formula: C15 H15 N O3 S
• SMILES: S(=O)(=O)(c1ccccc1)CC(=N\O)/c1ccc(cc1)C
• Title of publication: (<i>Z</i>)-1-(4-Methylphenyl)-2-(phenylsulfonyl)ethanone oxime
• Authors of publication: Fun, Hoong-Kun; Chia, Tze Shyang; Al-Rashood, Khalid A.; Abdel-Aziz, Hatem A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2369
• a: 5.2305 ± 0.0003 Å
• b: 17.6073 ± 0.0011 Å
• c: 15.6578 ± 0.001 Å
• α: 90°
• β: 103.782 ± 0.002°
• γ: 90°
• Cell volume: 1400.49 ± 0.15 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0488
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes