Does a Molecule have the Same Conformation in the Crystalline State and in Solution? Comparison of NMR Results for the Solid State and Solution with those of the X‐ray Structural Determination

Abstract

The comparison of structures in the solid state and in solution by one method—NMR spectroscopy — enabled unequivocal demonstration of structural changes on dissolution of a solid compound. Thus,e.g., in the crystal the vinylogous amide (R = C6H11) investigated is E-configurated at the CC double bond; in solution a Z-form is most stable.