Fine tuning of folded conformation by change of substituents: ¹H NMR and crystallographic evidence for folded conformation due to arene interactions in pyrazolo[3,4-d]pyrimidine core based ‘propylene linker’ compounds

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• 作者：Kamlakar Avasthi ; Sangeeta Aswal ; Rishi Kumar ; Umesh Yadav ; Diwan S. Rawat and Prakas R. Maulik
• 关键词：¹H NMR spectroscopy ; X-ray crystallography ; Stacking interactions ; Conformation
• 刊名：Journal of Molecular Structure
• 出版年：2005
• 出版时间：2005
• 年：2005
• 卷：750
• 期：1-3
• 页码：179-185
• 全文大小：300 K

文摘

Proton NMR and X-ray crystallographic analysis of two newly synthesized ‘trimethylene linker,’ (Leonard linker) compounds 1,3-bis(4-ethoxy-6-methylsulfanyl-lH-pyrazolo[3,4-d]pyrimidin-1-yl)propane (4c) and 1,3-bis(4-isopropoxy-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane (4d) show intramolecularly stacked conformations both in solution and solid state. Robustness of the unusual U-motif formed due to intramolecular stacking in earlier related compounds (1, n