Intermolecular Interactions in (Arene)chromium Carbonyl Compounds:  Prediction of Chiral Crystal Packing from Racemate Structure

Abstract

Six X-ray crystal structures are reported, all containing substituted triphenylmethanol derivative 4 either alone or as its mono or bis(chromium tricarbonyl) complexes. All four chromium complexes studied crystallize with two independent molecules in the crystallographic asymmetric unit. It is demonstrated that from the X-ray crystal structure of the acentric racemic (±)-(1pR,1‘ ‘R)(1pS,1‘ ‘S)-[Cr(CO)3(η6-t-BuC6H3(CMeOMe)CPh2OH)], (±)-3, it is possible to deduce the 4-fold helical structure of the chiral (−)-(1pR,1‘ ‘R) isomer, (−)-3. The bimetallic derivatives demonstrate the ability to control intermolecular interactions by the positioning of relative stereochemistry