Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 1 (January 2003)

organic compounds

bm1510 scheme

Acta Cryst. (2003). C59, o42-o45 [ doi:10.1107/S0108270102020681 ]

Intermolecular stacking in pyrazolo[3,4-d]pyrimidine-based pentamethylene-linked flexible molecules

K. Avasthi, S. M. Farooq, A. K. Tewari, A. Sharon and P. R. Maulik

Abstract: The crystal structures of 1-{5-[4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-2-yl]pentyl}-6-methylsulfanyl-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine, C₂₂H₂₉N₉S₃, and 6-methylsulfanyl-1-{5-[6-methylsulfanyl-4-(pyrrolidin-1-yl)-2H-pyrazolo[3,4-d]pyrimidin-2-yl]pentyl}-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine, C₂₅H₃₄N₁₀S₂, which differ in having either a pyrrolidine substituent or a methylsulfanyl group, show intermolecular stacking due to aromatic [pi] - [pi] interactions between the pyrazolo[3,4-d]pyrimidine rings.

Formula: C₂₂H₂₉N₉S₃ and C₂₅H₃₄N₁₀S₂


	Structure factor file (CIF format) (239.0 kbytes) Contains datablock II

	Structure factor file (CIF format) (505.0 kbytes) Contains datablock III

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