Fig. 4: B3LYPD3BJ/6-31+G(d,p)/SMD(MeCN) optimized structure in acetonitrile for the minor rotamer of 1.
Weak hydrogen bond O-H distances = 4.10, 4.20 Å. Atom colors: nitrogen, blue; oxygen, red; fluorine, green.
Fig. 4: B3LYPD3BJ/6-31+G(d,p)/SMD(MeCN) optimized structure in acetonitrile for the minor rotamer of 1. | Communications Chemistry
