An unusual conformational change in the folded trimethylene/leonard linker pyrazolo[3,4-d]pyrimidine analogue of the theophylline compound due to structural changes

Abstract

The title compound C29H28N8O4, 1,1′-(propane-1,3-diyl)bis(5-benzyl-7-methyl-1H-pyrazolo[3,4-d]••pyrimidine-4,6(5H,7H)-dione) is characterized by single crystal X-ray diffraction. It crystallizes in the centrosymmetric space group P\(\bar 1\), with two molecules in the unit cell. There is one formula unit in the asymmetric unit with a folded conformation due to arene interaction and an unusually large angle of 124° in the propylene linker. The crystal structure is stabilized due to the presence of π–π and C–H…O interactions.