Weak intermolecular interactions modulate supramolecular synthon: A combined X-ray powder diffraction and Hirshfeld surface analysis

Abstract

Crystal structure of 4-oxo-4H-chromene-3-carbaldehyde (I) has been investigated from x-ray powder diffraction data along with Hirshfeld surface analysis and associated 2D fingerprint plot. A comparison of intermolecular interaction of related compound shows the contribution of weak intermolecular interactions tuned the supramolecular assembly forming C₁¹(5), C₁¹(3) polymeric chain and R₁¹(8), R₄⁴(20) rings generating two-dimensional honeycomb framework. Hirshfeld surface analysis of (I) and a few related chloro/bromo/iodo derivatives obtained from CSD also shows that moderately weak inter molecular interactions play a significant role in crystal packing arrangement. Additionally, interpretation of Full Interaction Map (FIM) also supports the observed packing arrangement of the title compound.