Visualizing supramolecular macrocyclic formations

Abstract

A convenient protocol to analyze complicated network structures arising due to noncovalent interactions in the solid state is demonstrated using the remarkably complex and extensively H-bonded crystal structure of the 1:3 cocrystal of cis,cis-1,3,5-cyclohexanetricarboxylic acid and urea. The visualization of the H-bond network in terms of macrocyclic formations and their systematic enumeration allows a simple analysis of the complex intermolecular interaction pathways which play a fundamental role in molecular materials design. © 2001 OPA (Overseas Publishers Association) N.V. Published by license under the Gordon and Breach Science Publishers imprint, a member of the Taylor & Francis Group.