The crystal structure of 4-difluoromethoxybenzylidene-4′-(1″,1″,2″,2″,3″,3″,4″,4″-octafluorobutyl)aniline and modelling of the 4-methoxybenzylidene-4′-n-butylaniline crystal structure

Abstract

The crystal and molecular structure of a non-mesogenic member of the series of mesogenic fluorinated 4-methoxybenzylidene-4′-n-butylaniline (MBBA) derivatives is described. Calculations based on atom-atom potentials were carried out to test the variability of the hypothetical crystal structures based on the MBBA derivatives studied by the authors and to build the variable crystal structures for the classical nematogen MBBA.