Abstract
Abstract The conformations of 3-(substituted benzo[b]furan-2-yl)-GABA ( 1 – 4 ) in solution (D 2 O) are estimated from high-resolution (400 MHz) 1 H NMR coupling data. Conformations and populations of conformers are calculated by means of a modified Karplus-like relationship for the vicinal coupling constants and are compared with X-ray crystallographic investigations. 1 H NMR spectral analysis evidences how 1 – 4 keep also in solution the preferred g − conformation around the C3C4 bond as found in the solid state while a partial rotation is set up around the C2C3 bond.
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