Crystal structure landscape of conformationally flexible organo-fluorine compounds

Abstract

The crystal structure landscape of an unsubstituted benzanilide was generated and a number of hypothetical structures were accessed with experimentally obtained crystal structures of mono-, di-, tetra- and penta-fluorobenzanilides. Thus, chemical modification allows us to access the “high energy” forms of the parent compound, thereby delineating the significant role of weak intermolecular interactions.