Destabilizing molecular pairs
There are three pairs identified as destabilizing molecular dimers (motifs D10-D12) in the title complex. These dimers exist between cation-cation, anion-anion and water-anion pairs. Among them, the anion-water complex has a weak nature of destabilization with theE tot value being 3.4 kJ mol-1. We note that the destabilization nature is remarkably higher (almost 2-fold) in the case of anion-anion complex as compared to the cation-cation complex. As depicted in Fig. 4, the adjacent anions are self-assembled via intermolecular C–H···O interaction (motif D12, Table 2) which produces 1D chain that has a graph-set motif ofC (6).40 It should be emphasized that the hydroxy is not participated in the self-assembly of mandelate anions as observed in other amino acids-mandelic acid complexes.