Information card for entry 2208505

Structure parameters

• Chemical name: [3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]methanol
• Formula: C10 H10 N2 O2
• Calculated formula: C10 H10 N2 O2
• SMILES: o1nc(nc1CO)c1c(C)cccc1
• Title of publication: [3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]methanol
• Authors of publication: Yan, Xiao-Chen; Wang, Hai-Bo; Liu, Zhi-Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1302 - o1303
• a: 7.529 ± 0.002 Å
• b: 14.307 ± 0.003 Å
• c: 8.799 ± 0.003 Å
• α: 90°
• β: 106.39 ± 0.03°
• γ: 90°
• Cell volume: 909.3 ± 0.5 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: 0.082
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes