Information card for entry 2212891

Structure parameters

• Chemical name: N-(2,6-Dimethylphenyl)-2-(2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol- 5-yl}phenoxy)acetamide
• Formula: C25 H23 N3 O3 S
• Calculated formula: C25 H23 N3 O3 S
• SMILES: S(C)c1ccc(cc1)c1noc(n1)c1c(OCC(=O)Nc2c(C)cccc2C)cccc1
• Title of publication: <i>N</i>-(2,6-Dimethylphenyl)-2-(2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}phenoxy)acetamide
• Authors of publication: Yin, Jun; Xing, Zhi-Tao; Wang, Hai-Bo; Ding, Wei-Lin; Wang, Pin-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1683 - o1684
• a: 8.616 ± 0.0017 Å
• b: 9.29 ± 0.0019 Å
• c: 15.225 ± 0.003 Å
• α: 84.34 ± 0.03°
• β: 81.45 ± 0.03°
• γ: 66.66 ± 0.03°
• Cell volume: 1105.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes