Analysis of molecular Cl⋯Cl interactions in pentachlorobezene and hexachlorobenzene crystals

Abstract

The concept of Cl-aggregation in chlorine-containing organic compounds and the principles of their classification are briefly discussed. The method for singling out Cl-aggregates in substances with high chlorine content is considered, using the examples of hexachlorobenzene and pentachlorobenzene. It is established that Cl-aggregates in these compounds are three dimensional (i 3-aggregates) and contain subaggregates of lower dimensionalities. The results obtained agree with the earlier assumptions about an important role of the chlorophobic effect in Cl-aggregation.