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.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
More From: Spectrochimica Acta Part A: Molecular Spectroscopy
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.