Information card for entry 2209407

Structure parameters

• Chemical name: Methyl 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-ylmethoxy]phenylacetate
• Formula: C18 H15 F N2 O4
• Calculated formula: C18 H15 F N2 O4
• SMILES: Fc1ccc(c2noc(n2)COc2c(CC(=O)OC)cccc2)cc1
• Title of publication: Methyl 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-ylmethoxy]phenylacetate
• Authors of publication: Liu, Zhi-Qian; Liu, Zhi-Qian; Yan, Xiao-Chen; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2689 - o2690
• a: 11.603 ± 0.002 Å
• b: 9.017 ± 0.0018 Å
• c: 15.692 ± 0.003 Å
• α: 90°
• β: 96.9 ± 0.03°
• γ: 90°
• Cell volume: 1629.9 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2151
• Residual factor for significantly intense reflections: 0.1093
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes