Figure 7. Fingerprint plots for compounds AB1 andAB2 .
Hirshfeld surface analysis shows that the \(Br\cdots\)H contacts of theAB2 is smaller than that of AB1 ranging from 22.2% to
35.1% which represents short intermolecular short interactions between
the neighboring molecules. For both molecules the \(Br\cdots\)H and\(H\cdots\)Br interactions are represented by a spike in the bottom left
(donor) and right area of the fingerprint plot. The AB2displays a higher proportion of \(O\cdots\)H (13.8%) than \(H\cdots\)O
(13.0%) interactions, and this is due to two of its phenyl protons
interacting with the Br atoms. These brom-based interactions represent
the closest contacts in the structure and can be viewed as a pair of
large red spots on the dnorm surface. The deep red visible on the
Hirshfeld surfaces are indicative of intermolecular π···π (C···C)
interactions, comprises 5.6% and 2.3% of the total Hirshfeld surfaces
of AB1 and AB2, respectively. Other visible bright red spots the total
Hirshfeld surfaces of AB2, are due to intermolecular O···H contacts
(comprised of 27.6%). The strong O\(\cdots H\) contacts of theAB2 is indicated by two adjacent deep-red region in thednorm map. The π…π interactions about
Cg\(\cdots\)Cg which is the C…C contacts in the dnorm map are
represented by another red spot . Due to the presence of adjacent red
and blue triangles on the shape index surface, it can be said that π\(\cdots\)π stacking interactions of the AB1 and AB2are nearly the same in their crystal structures. There is a flat region
toward the bottom of both sides of the molecules which confirm the
presence of the π\(\cdots\)π stacking interactions. Convex region
represented by blue triangles is due to the ring carbon atoms of the
molecules and concave regions represented by red triangles is due to
carbon atoms of the π stacked molecules.