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Issue 39, 2018
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Simple design for metal-based halogen-bonded cocrystals utilizing the M–Cl⋯I motif

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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

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Publication details

The article was received on 08 May 2018, accepted on 06 Jun 2018 and first published on 06 Jun 2018


Article type: Paper
DOI: 10.1039/C8CE00754C
Citation: CrystEngComm, 2018,20, 5955-5963
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    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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