Molecular and Crystal Structures of 4-Cyano-3(2H)-Furanones and Structural Effects in 1H NMR Spectra

Abstract

Features of the molecular structure in crystals of a series of functionalized 4-cyano-3(2H)-furanones with a spiro-cyclohexane substituent or two methyl groups at position 2 of the furanone ring and also an aryl or heteroaryl substituent at position 5 are analyzed in comparison with the literature data. Effects appearing in ¹H NMR spectra, which are caused by the features of the molecular structures of these compounds are interpreted. Their crystal structure is considered and intermolecular interactions responsible for the supramolecular architecture of the crystals formed are revealed.