Display options
Cite
Avasthi K, Tewari A, Rawat DS, et al. 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. Acta Crystallogr C. 2002;58:o494-5doi: 10.1107/s0108270102012039.
Avasthi, K., Tewari, A., Rawat, D. S., Sharon, A., & Maulik, P. R. (2002). 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. Acta crystallographica. Section C, Crystal structure communications, 58o494-5. https://doi.org/10.1107/s0108270102012039
Avasthi, Kamlakar, et al. "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." Acta crystallographica. Section C, Crystal structure communications vol. 58 (2002): o494-5. doi: https://doi.org/10.1107/s0108270102012039
Avasthi K, Tewari A, Rawat DS, Sharon A, Maulik PR. 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. Acta Crystallogr C. 2002 Aug;58:o494-5. doi: 10.1107/s0108270102012039. Epub 2002 Jul 20. PMID: 12154309.
Copy Download .nbib Format: NLM
Share it on

Acta Crystallogr C. 2002 Aug;58:o494-5. doi: 10.1107/s0108270102012039. Epub 2002 Jul 20.

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.

Acta crystallographica. Section C, Crystal structure communications

Kamlakar Avasthi, Ashish Tewari, Diwan S Rawat, Ashoke Sharon, Prakas R Maulik

Affiliations

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

PMID: 12154309 DOI: 10.1107/s0108270102012039

Abstract

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.

Publication Types