Figure 5
Views of the Hirshfeld surface mapped over dnorm (left) and mapped over the electrostatic potential (right) for 1_P21/n. The highlighted red spots on the top face of the surfaces indicate contact points with the atoms participating in the C—H⋯O/N intermolecular interactions whereas those on the middle of the surface corresponds to C⋯C contacts as a consequence of the π–π stacking. The electrostatic potential surface (ranging from −0.077 to 0.066) shows the complementary electronegative (red) and electropositive areas (blue) with molecules of the first shell. They depict the importance of the H2 and H8 atoms of the chromone ring that are located in the most electropositive area and their connection to O4 and N33. The methyl group presents also an electropositive region that complements with the thiozole environment near the sulfur atom. |