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

Acta Crystallogr E Crystallogr Commun

Dipartimento di Scienze Chimiche, della Vita e della Sostenibilità Ambientale, Università di Parma, Parco Area delle Scienze 17/A, 43124 Parma, Italy.

Published: May 2024

The structural characterization is reported of the supra-molecular complex between the tetra-quinoxaline-based cavitand 2,8,14,20-tetra-hexyl-6,10:12,16:18,22:24,4-,'-tetra-kis-(quinoxaline-2,3-di-yl)calix[4]resorcinarene () with benzo-nitrile. The complex, of general formula CHNO·2CHN, crystallizes in the space group 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 axis direction.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151304PMC
http://dx.doi.org/10.1107/S205698902400481XDOI Listing

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