Information card for entry 2210971

Structure parameters

• Chemical name: 2-{2-[3-(2-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: Clc1ccccc1c1noc(n1)c1ccccc1OCC(=O)Nc1c(cccc1C)C
• Title of publication: 2-{2-[3-(2-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, Pin-Liang; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5280 - o5281
• a: 8.911 ± 0.0018 Å
• b: 10.612 ± 0.002 Å
• c: 12.491 ± 0.003 Å
• α: 94.55 ± 0.03°
• β: 92.09 ± 0.03°
• γ: 114.63 ± 0.03°
• Cell volume: 1067.2 ± 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: 0.124
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes