Information card for entry 2211429

Structure parameters

• Chemical name: N-(2,6-Dimethylphenyl)-2-{2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol- 5-yl]phenoxy}acetamide
• Formula: C25 H23 N3 O4
• Calculated formula: C25 H23 N3 O4
• SMILES: O(C)c1cccc(c1)c1noc(n1)c1ccccc1OCC(=O)Nc1c(C)cccc1C
• Title of publication: <i>N</i>-(2,6-Dimethylphenyl)-2-{2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide
• Authors of publication: Ding, Wei-Lin; Tan, Shu-Bo; Xing, Zhi-Tao; Wang, Pin-Liang; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5574 - o5575
• a: 8.036 ± 0.0016 Å
• b: 11.692 ± 0.002 Å
• c: 12.78 ± 0.003 Å
• α: 66.93 ± 0.03°
• β: 85.56 ± 0.03°
• γ: 81.18 ± 0.03°
• Cell volume: 1091.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes