Molecular structure and conformation of the (Z) and (E) geometric isomers of 2-(2-phenylbenzylidene)-3 quinuclidinone

Article abstract of DOI:10.1016/0040-4020(94)01062-5

The crystal structures of the (Z) and (E) geometric isomers of 2-(2-phenylbenzylidene)-3-quinuclidinone were solved by direct methods, using diffractometric data, and refined to final R values of 0.040 and 0.061. The molecules of the (Z) and (E) geometric isomers show trans and cis conformation of the substituents around the double bond, respectively. The quinuclidine and the diphenyl moieties show deformations in their geometric and conformational parameters due to the need of releasing intramolecular strains and/or non-bonded interactions.