Information card for entry 2228708

Structure parameters

• Chemical name: 3-(Pyridin-3-yl)propionic acid
• Formula: C8 H9 N O2
• Calculated formula: C8 H9 N O2
• SMILES: c1(cnccc1)CCC(=O)O
• Title of publication: 3-(Pyridin-3-yl)propionic acid
• Authors of publication: Lemmerer, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o215
• a: 6.7157 ± 0.0004 Å
• b: 14.6544 ± 0.0013 Å
• c: 7.2993 ± 0.0006 Å
• α: 90°
• β: 92.566 ± 0.005°
• γ: 90°
• Cell volume: 717.64 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes