Information card for entry 2228712

Structure parameters

• Chemical name: 3-[3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
• Formula: C10 H9 N3 O3
• Calculated formula: C10 H9 N3 O3
• SMILES: o1nc(nc1CCC(=O)O)c1cnccc1
• Title of publication: 3-[3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
• Authors of publication: Zhang, Fang; Liu, Fei; Chen, Qifan; Dong, Mingdong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o193
• a: 6.1298 ± 0.0012 Å
• b: 6.8194 ± 0.0014 Å
• c: 23.426 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 979.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes