Molecular dimers in the complex
We performed PIXEL energy calculation to obtain intermolecular
interactions energies for different molecular dimers formed in the
crystal structure (Table 2). These dimers are held together by various
intermolecular interactions. It should be noted that both stabilizing
and destabilizing molecular pairs are existed in the dihydrated complex.
The stabilizing molecular dimers are formed between different
charged-charged and charged-uncharged species such as cation···anion
[+1···-1], cation···H2O [+1···0] and
anion···H2O [-1···0] pairs. Among stabilizing
dimers, the dimers (motifs D1-D4, Table 2) formed by
lysinium···mandelate ions are strong. The other stabilizing pairs
(motifs D5-D9) formed by cation-water and anion-water components are
relatively weaker dimers.