Information card for entry 2239339

Structure parameters

• Chemical name: 2-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl acetate
• Formula: C11 H10 N2 O3
• Calculated formula: C11 H10 N2 O3
• Title of publication: 2-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl acetate
• Authors of publication: dos Santos, Alexsandro F.; Cristiano, Rodrigo; Athayde-Filho, Petrônio F.; Bortoluzzi, Adailton J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o559
• a: 6.6335 ± 0.0006 Å
• b: 16.925 ± 0.003 Å
• c: 9.5078 ± 0.0006 Å
• α: 90°
• β: 92.113 ± 0.006°
• γ: 90°
• Cell volume: 1066.7 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes