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Issue 4, 2021
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Supramolecular architectures sustained by delocalised C–I⋯π(arene) interactions in molecular crystals and the propensity of their formation

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Abstract

A systematic analysis of the Cambridge Crystallographic Database has been made for supramolecular architectures sustained by C–I⋯π(chelate ring) interactions where the iodide atom is directed towards the ring centroid, Cg, of the arene ring, i.e. with the angle subtended at the iodide atom, C–I⋯Cg (θ) being ≥160°. The majority of the 181 identified aggregates are one-dimensional chains of varying topology (100 examples) followed by zero-dimensional aggregates (71 examples) with only a small number of two-dimensional arrays (4 examples). The overall likelihood for the formation of these delocalised interactions is around 4%, a number that increases to around 15% when the angle θ restriction is relaxed to 90°. A comparison has been made with the formation of C–X⋯π(chelate ring) interactions for the lower X = bromide, chloride and fluoride congeners. This shows these interactions are more likely to form in the order X = I > Br > Cl ≫ F.

Graphical abstract: Supramolecular architectures sustained by delocalised C–I⋯π(arene) interactions in molecular crystals and the propensity of their formation

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Supplementary files

Article information


Submitted
18 Nov 2020
Accepted
11 Dec 2020
First published
11 Dec 2020

CrystEngComm, 2021,23, 904-928
Article type
Paper

Supramolecular architectures sustained by delocalised C–I⋯π(arene) interactions in molecular crystals and the propensity of their formation

E. R. T. Tiekink, CrystEngComm, 2021, 23, 904
DOI: 10.1039/D0CE01677B

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