A stacked pyrazolo[3,4-d]pyrimidine-based flexible molecule: the effect of a bulky benzyl group on intermolecular stacking in comparison with methyl and ethyl groups

In the crystal structure of 1,1'-(1,3-propanediyl)bis(5-benzyl-6-methylsulfanyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one), C(29)H(28)N(8)O(2)S(2), the pairs of pyrazolo[3,4-d]pyrimidine rings stack as a result of intramolecular pi-pi interactions between the heterocyclic rings. The folded molecules are further stacked in pairs, due to intermolecular aromatic pi-pi interactions and C-H...O hydrogen bonds.