Information card for entry 2209468

Structure parameters

• Chemical name: [3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol
• Formula: C9 H7 Cl N2 O2
• Calculated formula: C9 H7 Cl N2 O2
• SMILES: Clc1c(c2nc(on2)CO)cccc1
• Title of publication: [3-(2-Chlorophenyl)-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: 7
• Pages of publication: o3007 - o3008
• a: 7.428 ± 0.0015 Å
• b: 14.202 ± 0.003 Å
• c: 8.805 ± 0.0018 Å
• α: 90°
• β: 106.76 ± 0.03°
• γ: 90°
• Cell volume: 889.4 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes