Information card for entry 2208456

Structure parameters

• Chemical name: Methyl 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-ylmethoxy]phenylacetate
• Formula: C18 H15 Br N2 O4
• Calculated formula: C18 H15 Br N2 O4
• SMILES: Brc1ccc(c2nc(on2)COc2c(CC(=O)OC)cccc2)cc1
• Title of publication: Methyl {2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-ylmethoxy]phenyl}acetate
• Authors of publication: Liu, Zhi-Qian; Wang, Hai-Bo; Pu, Yue-Qing; Yan, Xiao-Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1131 - o1132
• a: 20.011 ± 0.004 Å
• b: 9.643 ± 0.002 Å
• c: 18.089 ± 0.004 Å
• α: 90°
• β: 98.33 ± 0.03°
• γ: 90°
• Cell volume: 3453.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes