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Straightening out halogen bonds

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Abstract

The fine control of molecular arrangements using intermolecular interactions is essential for the reliable formation of complex materials. The predictable directionality of supramolecular forces is a key aspect that allows bottom-up design of such architectures. Here we describe a way to quantify the linearity of intermolecular halogen bonds and show that pyridyl halogen bond acceptors are more reliable than equivalent nitrile systems in forming predictable assemblies. A new parameter is presented to more accurately describe the linearity of halogen bonds.

Graphical abstract: Straightening out halogen bonds

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Article information


Submitted
14 Jan 2020
Accepted
10 Feb 2020
First published
11 Feb 2020

CrystEngComm, 2020, Advance Article
Article type
Communication

Straightening out halogen bonds

C. J. Setter, J. J. Whittaker, A. J. Brock, K. S. Athukorala Arachchige, J. C. McMurtrie, J. K. Clegg and M. C. Pfrunder, CrystEngComm, 2020, Advance Article , DOI: 10.1039/D0CE00176G

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