Synthesis, characterization and supramolecular analysis for (E)-3-(pyridin-4-yl)acrylic acid

Abstract

The title compound, C8H7NO2, crystallizes as prismatic colourless crystals in space group P\overline{1}, with one molecule in the asymmetric unit. The pyridine ring is fused to acrylic acid, forming an almost planar structure with an E-configuration about the double bond with a torsion angle of −6.1 (2)°. In the crystal, strong O—H...N interactions link the molecules, forming chains along the [101] direction. Weak C—H...O interactions link adjacent chains along the [100] direction, generating an R22(14) homosynthon. Finally, π–π stacking interactions lead to the formation of the three-dimensional structure. The supramolecular analysis was supported by Hirshfeld surface and two-dimensional fingerprint plot analysis, indicating that the most abundant contacts are associated with H...H, O...H/H...O, N...H/H...N and C...H/H...C interactions.

Keywords

• crystal structure
• (e)-3-(pyridin-4-yl)acrylic acid
• supramolecular analysis