Figure 9
The electrostatic potential surfaces for 1_P21/c, mol#1 and mol#2. The surfaces show the complementary electronegative (red) and electropositive areas (blue) with molecules of the first shell (ranging from −0.077 to 0.066). The ESP is electronegative in the vicinity of oxo oxygen atoms and of the nitrogen atom of the thiazole ring while it is electropositive in the areas that surrounds the H2, H5 and H8 hydrogen atoms of the chromone ring. |