Issue 39, 2018

Simple design for metal-based halogen-bonded cocrystals utilizing the M–Cl⋯I motif

Abstract

We demonstrate a strategy for synthesizing halogen-bonded metal–organic cocrystals by utilizing metal complexes whose pendant chloride group enables halogen bonding. A series of 12 cocrystals involving octahedral CoCl2L2 complexes (L = 2,2′-bipyridine or 1,10 phenantroline) as halogen bond acceptors were prepared by both liquid-assisted grinding and conventional solution-based methods. The efficacy of this strategy is evident by the assembly of a large family of cocrystals involving six perfluorinated halogen bond donors: 1,4-diiodotetrafluorobenzene, 1,3-diiodotetrafluorobenzene, 1,2-diiodotetrafluorobenzene, 1,3,5-triiodotrifluorobenzene, iodopentafluorobenzene and octafluoro-1,4-diiodobutane. Single crystal X-ray diffraction experiments have shown that cocrystals display different crystal packing governed by Cl⋯I halogen bonds between halogen bond donor iodine atoms and metal complex chlorine atoms (varying from 3.061 to 3.471 Å) based on zero-, one-, two- and three- dimensional halogen-bonded architectures.

Graphical abstract: Simple design for metal-based halogen-bonded cocrystals utilizing the M–Cl⋯I motif

Supplementary files

Article information

Article type
Paper
Submitted
08 Maijs 2018
Accepted
06 Jūn. 2018
First published
06 Jūn. 2018

CrystEngComm, 2018,20, 5955-5963

Simple design for metal-based halogen-bonded cocrystals utilizing the M–Cl⋯I motif

K. Lisac and D. Cinčić, CrystEngComm, 2018, 20, 5955 DOI: 10.1039/C8CE00754C

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