Prediction and structure of polymorphic lattice inclusion compounds of 2,7-dimethyltricyclo[4.3.1.03,8]undecane-syn-2,syn-7-diol

Add time:08/29/2019    Source:sciencedirect.com

The host molecule 2,7-dimethyltricyclo[4.3.1.03,8]undecane-syn-2,syn-7-diol 1 is known to form two different structural types of lattice inclusion compound dependent on the guest molecule chosen. Guests, including 1,2-dichlorobenzene 2, have now been predicted which result in the formation of both lattice types according to the crystallisation conditions employed. Crystal structures of the ellipsoidal clathrate type: (Racemic-1)4.(1,2-Dichlorobenzene), space group I41/acd; and the helical tubulate type: (Resolved-1)3.(1,2-Dichlorobenzene), space group P3121 are presented. The latter polymorph is transformed into the former on heating in a sealed system.

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