Information card for entry 2205671

Structure parameters

• Chemical name: Methyl 2-{[3-(2-methyl)phenyl-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate
• Formula: C19 H18 N2 O4
• Calculated formula: C19 H18 N2 O4
• SMILES: O(C)C(=O)Cc1ccccc1OCc1onc(n1)c1ccccc1C
• Title of publication: Methyl 2-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate
• Authors of publication: Wang, Hai-Bo; Pu, Yue-Qing; Chen, Jia-Hui; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1390 - o1392
• a: 11.444 ± 0.002 Å
• b: 7.954 ± 0.0016 Å
• c: 19.356 ± 0.004 Å
• α: 90°
• β: 102.83 ± 0.03°
• γ: 90°
• Cell volume: 1717.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.114
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes