Rubrene Polymorphs and Derivatives: The Effect of Chemical Modification on the Crystal Structure

摘要: Graphical tools based on Hirshfeld surfaces and two-dimensional fingerprint plots have been used to compare the different polymorphs of rubrene structures substitution derivatives, deposited in Cambridge Structural Database. Focusing C···C contacts displayed both plots, some distinctive features related with herringbone disposition molecules their arrangement π-stacks observed. These do not occur only for those modified by insertion small functional groups but also case bulky substituents. Although no particular trend was identified, this study should contribute encourage design new improved derivatives that could exhibit typical intermolecular orthorhombic rubrene, a feature has suggested its excellent performance as semiconducting material. As consequence, limited number present...