{Insert Figure 6}
The magnitude of the ρ (r) and ∇2ρ (r)
values for the five intermolecular O–H···O interactions fall in the
range (0.013 < ρ (r) e Å-3 <
0.236; 0.580 < ∇2ρ (r) e
Å-5 < 3.355) proposed by Koch-Popelier for
hydrogen bonds.45Further, these interactions are found to be closed shell in nature. It
is of interest to note that R ij andD e values for the O–H···O interactions follow
the exponential decay trend (R 2=0.972) rather
than linear correlation (R 2=0.844). The title
complex also stabilized by three intermolecular C–H···O interactions.
As can be seen from the table 3, the ρ (r) values for these
interactions lie within the suggested limit of Koch-Popelier. However,
only one interaction (C10–H10···O2) which is involving in the
self-assembly of mandelate anions satisfying the suggested limit of the
Laplacian.
In addition to N–H+···O/O-,
O–H···O and C–H···O interactions, some of the motifs are additionally
stabilized by intermolecular C–H···C(π),
Csp 3–H···H–Csp 2 type
dihydrogen bonding and Cπ···Olpinteractions. These three interactions are of closed shell in nature as
revealed by the topological parameters. It should be noted that the
Csp 3–H···H–Csp 2 type
dihydrogen bonding interaction is found be to strongest based on the
values of D e and H (r) as compared to
C–H···C(π) interactions.