| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1409975 | Journal of Molecular Structure | 2012 | 6 Pages |
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.
