Synthesis, crystal & molecular structure studies and Hirshfeld surface analysis of 4-oxo-4-(pyridin-3-ylamino)butanoic acid

Abstract

The molecular and crystal structure of 4-oxo-4-(pyridin-3-ylamino)butanoic acid [i.e., N-(pyridin-3-yl)-succinamic acid] is analyzed in detail by single crystal X-ray diffraction studies. In the molecule of the title compound, the side chain is bent at the carbon atom adjacent to the carbonyl carbon of the amide fragment, and, the OH bond of the COOH group points toward the CH2 segment of the side chain. The crystal structure features strong structure directing OH…N hydrogen bonded chains which are further inter linked by strong NH…O hydrogen bonds and CH…O interactions resulting in a two dimensional (2D) zig zag sheets. An additional CH…O interaction between the neighboring sheets ensues a three dimensional (3D) supramolecular structure.