Information card for entry 2213648

Structure parameters

• Chemical name: Ethyl 2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]propanoate
• Formula: C14 H16 N2 O4
• Calculated formula: C14 H16 N2 O4
• SMILES: o1c(nnc1C)c1ccc(OC(C)C(=O)OCC)cc1
• Title of publication: Ethyl 2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]propanoate
• Authors of publication: Rui-Dian Ma; Bao-Lei Wang; Zheng-Ming Li; Hai-Bin Song
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2897 - o2897
• a: 15.7947 ± 0.0015 Å
• b: 7.8792 ± 0.0005 Å
• c: 10.8786 ± 0.0012 Å
• α: 90°
• β: 91.19 ± 0.009°
• γ: 90°
• Cell volume: 1353.5 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes