Information card for entry 2210639

Structure parameters

• Chemical name: 2-{2-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy}- N-(2,6-dimethylphenyl)acetamide
• Formula: C24 H20 Cl N3 O3
• Calculated formula: C24 H20 Cl N3 O3
• SMILES: Clc1ccc(c2nc(on2)c2c(OCC(=O)Nc3c(C)cccc3C)cccc2)cc1
• Title of publication: 2-{2-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-<i>N</i>-(2,6-dimethylphenyl)acetamide
• Authors of publication: Ding, Wei-Lin; Xing, Zhi-Tao; Liu, Zhi-Qian; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4744 - o4745
• a: 12.498 ± 0.003 Å
• b: 8.241 ± 0.0016 Å
• c: 20.996 ± 0.004 Å
• α: 90°
• β: 93.21 ± 0.03°
• γ: 90°
• Cell volume: 2159.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes