Information card for entry 2011587

Structure parameters

• Chemical name: 1,2-Diphenyl-2-(phenyldiazenyl)-2-tosylethanone
• Formula: C27 H22 N2 O3 S
• Calculated formula: C27 H22 N2 O3 S
• SMILES: S(=O)(=O)(C(N=Nc1ccccc1)(C(=O)c1ccccc1)c1ccccc1)c1ccc(cc1)C
• Title of publication: 1,2-Diphenyl-2-(phenyldiazenyl)-2-tosylethanone, an example of a fungicide containing a sulfonyl group
• Authors of publication: Wolf, Wojciech M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1444 - 1446
• a: 11.824 ± 0.002 Å
• b: 17.573 ± 0.002 Å
• c: 11.96 ± 0.002 Å
• α: 90°
• β: 110.24 ± 0.01°
• γ: 90°
• Cell volume: 2331.6 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 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: 0.0564
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes