The remarkable propensity for the formation of C–H⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain.

Tiekink, Edward R. T. * (2020) The remarkable propensity for the formation of C–H⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain. CrystEngComm, 22 (43). pp. 7308-7333. ISSN 1466-8033 (In Press)

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Official URL: http://doi.org/10.1039/d0ce00289e

Abstract

The Cambridge Crystallographic Database has been searched for the presence of intermolecular C– H⋯π(chelate ring) interactions, known to be stabilising, in the crystals of the first-row transition metal dithiocarbamates, i.e. containing anionic ligands of the type −S2CNR2, R = H, alkyl and aryl. A significant propensity to form C–H⋯π(chelate ring) interactions is noted, especially in crystals of nickel and copper dithiocarbamates. The participating hydrogen atoms are characterised as being near an electronegative atom/substituent encouraging their engagement in this supramolecular synthon. The survey shows that an open, square-planar geometry is not a prerequisite for a C–H⋯π(chelate ring) interaction but, allows, on average, more of these contacts leading to one- and two-dimensional architectures. It is concluded that a search for a C–H⋯π(chelate ring) supramolecular synthon should be included in any detailed analysis of the molecular packing of metal-containing crystals.

Item Type: Article
Subjects: Q Science > QD Chemistry
Divisions: Sunway University > School of Engineering and Technology [formerly School of Science and Technology until 2020] > Research Centre for Crystalline Materials moved to SMLS wef 2021
Depositing User: Dr Janaki Sinnasamy
Related URLs:
Date Deposited: 12 Nov 2020 08:48
Last Modified: 12 Nov 2020 08:48
URI: http://eprints.sunway.edu.my/id/eprint/1529

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