Structural characterization of the supra-molecular complex between a tetra-quinoxaline-based cavitand and benzo-nitrile.

ABSTRACT

The structural characterization is reported of the supra-molecular complex between the tetra-quinoxaline-based cavitand 2,8,14,20-tetra-hexyl-6,1012,1618,2224,4-O,O'-tetra-kis-(quinoxaline-2,3-di-yl)calix[4]resorcinarene (QxCav) with benzo-nitrile. The complex, of general formula C84H80N8O8·2C7H5N, crystallizes in the space group P with two independent mol-ecules in the asymmetric unit, displaying very similar geometrical parameters. For each complex, one of the benzo-nitrile mol-ecules is engulfed inside the cavity, while the other is located among the alkyl legs at the lower rim. The host and the guests mainly inter-act through weak C-H⋯π, C-H⋯N and dispersion inter-actions. These inter-actions help to consolidate the formation of supra-molecular chains running along the crystallographic b-axis direction.