Information card for entry 2220557

Structure parameters

• Chemical name: 3-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-yl]propionic acid
• Formula: C11 H9 F N2 O3
• Calculated formula: C11 H9 F N2 O3
• SMILES: c1(c2cccc(c2)F)noc(CCC(=O)O)n1
• Title of publication: 3-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-yl]propionic acid
• Authors of publication: Santos, Suseanne K. M.; Neves Filho, Ricardo A. W.; Bortoluzzi, Adailton J.; Srivastava, Rajendra M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o146
• a: 5.055 ± 0.001 Å
• b: 5.905 ± 0.001 Å
• c: 17.967 ± 0.001 Å
• α: 85.769 ± 0.005°
• β: 87.965 ± 0.007°
• γ: 81.252 ± 0.007°
• Cell volume: 528.47 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes