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Acta Crystallogr C. 2003 Sep;59:o523-4. doi: 10.1107/s0108270103016676. Epub 2003 Aug 16.

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

Acta crystallographica. Section C, Crystal structure communications

Kamlakar Avasthi, Sheikh M Farooq, Diwan S Rawat, Ashoke Sharon, Prakas R Maulik

Affiliations

  1. Medicinal Chemistry Division, Central Drug Research Institute, Lucknow 226 001, India.

PMID: 12944665 DOI: 10.1107/s0108270103016676

Abstract

In the crystal structure of 1,3-bis(4,6-diisopropylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane, C(25)H(36)N(8)S(4), the pairs of pyrazolo[3,4-d]pyrimidine rings in the molecule stack as a result of intramolecular pi-pi interactions between the heterocyclic rings. The crystal packing also exhibits an intermolecular C--H...pi interaction between one methyl group of an isopropyl group and a pyrazolo[3,4-d]pyrimidine ring.

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