Information card for entry 2210573

Structure parameters

• Chemical name: [3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol
• Formula: C9 H7 Cl N2 O2
• Calculated formula: C9 H7 Cl N2 O2
• SMILES: Clc1ccc(cc1)c1noc(n1)CO
• Title of publication: [3-(4-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: 10
• Pages of publication: o4226 - o4227
• a: 27.789 ± 0.002 Å
• b: 4.0141 ± 0.0005 Å
• c: 21.457 ± 0.0015 Å
• α: 90°
• β: 127.56 ± 0.03°
• γ: 90°
• Cell volume: 1897.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1531
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes