Information card for entry 2210629

Structure parameters

• Chemical name: Methyl {2-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-ylmethoxy]phenyl}acetate
• Formula: C18 H14 Cl2 N2 O4
• Calculated formula: C18 H14 Cl2 N2 O4
• SMILES: Clc1c(c2nc(on2)COc2c(CC(=O)OC)cccc2)ccc(Cl)c1
• Title of publication: Methyl {2-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-ylmethoxy]phenyl}acetate
• Authors of publication: Liu, Zhi-Qian; Liu, Zhi-Qian; Xing, Zhi-Tao; Yan, Xiao-Chen; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4405 - o4406
• a: 7.491 ± 0.0015 Å
• b: 15.613 ± 0.003 Å
• c: 15.1 ± 0.003 Å
• α: 90°
• β: 90.59 ± 0.03°
• γ: 90°
• Cell volume: 1766 ± 0.6 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: 0.1314
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes