Information card for entry 2215116

Structure parameters

• Chemical name: N-(2,6-Dimethylphenyl)- 2-(2-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}phenoxy)acetamide
• Formula: C25 H23 N3 O5 S
• Calculated formula: C25 H23 N3 O5 S
• SMILES: S(=O)(=O)(C)c1ccc(cc1)c1noc(n1)c1ccccc1OCC(=O)Nc1c(cccc1C)C
• Title of publication: <i>N</i>-(2,6-Dimethylphenyl)-2-(2-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}phenoxy)acetamide
• Authors of publication: Wang, Hai-Bo; Yin, Jun; Xing, Zhi-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3668 - o3668
• a: 28.848 ± 0.006 Å
• b: 13.648 ± 0.003 Å
• c: 13.562 ± 0.003 Å
• α: 90°
• β: 117.58 ± 0.03°
• γ: 90°
• Cell volume: 4733 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1804
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes