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Phthalonitriles are synthetic precursors of phthalocyanines which are used as high-tech materials in important application areas such as photodynamic theraphy (PDT), catalysis, liquid crystal, chemical sensors, nonlinear optics (NLO) [1]. We have recently established the X-ray crystal structures of phthalonitriles and phthalocyanines of interest in our researches [2,3]. In this study, we comparatively studied the set of eight phthalonitriles shown in Fig. 1, constitute two groups of molecules: 4.5peripherally substituted phthalonitriles, and corresponding 3,6non peripherally substituted phthalonitriles. Crystallographic data regarding the tertbutyl derivatives are compared to those of the adamantyl, cyclohexyl and hexylthio derivatives in terms of the influence of the position of the substituents on structural parameters [4].

Comparative X-ray structure analyses of 4,5- and 3,6-dialkylsulfanylphthalonitriles of different bulkiness