Prediction and Structure of Polymorphic Lattice Inclusion Compounds of 2,7-Dimethyltricyclo[4.3.1.03,8]undecanesyn- 2,syn-7-diol

Abstract

The host molecule 2,7-drmethylmcyclo[4 3 1 03~a]undecane-syn-2,rysyn-7-diol 1 is known to fotm two d&rent structural types of latuce mcluaon compound dependent on the guest molecule chosen Guests, mcludmg 1,Zdlchlorobenzene 2, have now been predicted which result in the formation of both lattice types according to the crystallisation conditions employed. Crvstal structures of the ellpsoidal clathrate type. (Racemic-1)4.( 1.2- chlorobenzene), space group I41/acd; and the helical tubulate hype `(Resolved-1)3 (1,2-Dichlorobenzene), space group P3121 are presented The latter polymorph 1s transformed into the former on heating in a sealed system