Information card for entry 2232463

Structure parameters

• Chemical name: (<i>S</i>)-<i>N</i>-[1-(5-Benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2- phenylethyl]-4-methylbenzenesulfonamide
• Formula: C24 H23 N3 O3 S2
• Calculated formula: C24 H23 N3 O3 S2
• SMILES: S(=O)(=O)(N[C@H](c1oc(SCc2ccccc2)nn1)Cc1ccccc1)c1ccc(cc1)C
• Title of publication: (<i>S</i>)-<i>N</i>-[1-(5-Benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
• Authors of publication: Syed, Tayyaba; Hameed, Shahid; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2875 - o2876
• a: 41.128 ± 0.002 Å
• b: 5.7205 ± 0.0005 Å
• c: 18.9783 ± 0.0011 Å
• α: 90°
• β: 90.94 ± 0.004°
• γ: 90°
• Cell volume: 4464.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes