AN UNUSUAL CONFORMATIONAL CHANGE IN THE FOLDED TRIMETHYLENE/LEONARD LINKER PYRAZOLO[3,4-d]PYRIMIDINE ANALOGUE OF THE THEOPHYLLINE COMPOUND DUE TO STRUCTURAL CHANGES
K. Avasthi1, R. Kant1, S. Aswal1, A. K. Tewari1, U. Yadav1, U. D. Misra2, P. R. Maulik1
1CSIR - Central Drug Research Institute (CDRI), Sector-10, Jankipuram Extension, Sitapur Road, Lucknow 226031, India
2Department of Physics, University of Lucknow, Lucknow, 226007, (U.P.)
Keywords: propylene linker, arene interaction, single crystal X-ray diffraction studies, propylene linker, arene interaction, single crystal X-ray diffraction studies, propylene linker, arene interaction, single crystal X-ray diffraction studies
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 , 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.
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