Molecular interactions in bis(2-aminopyridinium) malonate: A crystal isostructural to bis(2-aminopyridinium) maleate crystal

Crystals of a new salt in 2:1 ratio of 2-aminopyridine and malonic acid are grown by slow evaporation. These crystals of bis(2-aminopyridinium) malonate are orthorhombic and belong to the non-centrosymmetric space group, Fdd2 with parameters a = 22.0786(6), b = 23.0218(6), c = 5.5595(1) Å and Z = 8 at 300 K. The crystals are isostructural to those of bis(2-aminopyridinium) maleate, which is a NLO material. The isostructurality index between bis(2-aminopyridinium) maleate and bis(2-aminopyridinium) malonate was also calculated. The hyperpolarizability calculated using semi empirical method MOPAC2009 showed that bis(2-aminopyridinium) malonate has slightly higher β value compared to that of bis(2-aminopyridinium) maleate.

► Crystals of a new salt in 2:1 ratio of 2-aminopyridine and malonic acid are grown by slow evaporation.
► These crystals of Bis(2-aminopyridinium) malonate belong to the non centrosymmetric space group, F dd2.
► The crystals are isostructural to those of Bis(2-aminopyridinium) maleate, which is a NLO material.
► Bis(2-aminopyridinium) malonate has slightly higher β value compared to that of Bis(2-aminopyridinium) maleate.