Information card for entry 2023072

Structure parameters

• Common name: (<i>E</i>)-3-(Pyridin-4-yl)acrylic acid
• Chemical name: (<i>E</i>)-3-(Pyridin-4-yl)prop-2-enoic acid
• Formula: C8 H7 N O2
• Calculated formula: C8 H7 N O2
• SMILES: OC(=O)/C=C/c1ccncc1
• Title of publication: Synthesis, characterization and supra-molecular analysis for (<i>E</i>)-3-(pyridin-4-yl)acrylic acid.
• Authors of publication: Florez-Muñoz, Valentina; Guerrero, Andres Felipe; Macias, Mario; Illicachi, Luis Alberto; D'Vries, Richard
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 4
• Pages of publication: 388 - 391
• a: 6.6279 ± 0.0015 Å
• b: 7.3272 ± 0.0012 Å
• c: 8.2308 ± 0.0015 Å
• α: 67.271 ± 0.017°
• β: 83.403 ± 0.017°
• γ: 73.006 ± 0.017°
• Cell volume: 352.58 ± 0.13 ų
• Cell temperature: 291 K
• Ambient diffraction temperature: 291 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No