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A new structural motif for cadmium dithiocarbamates: crystal structures and hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates

Ahmad, Jimmy and How, Fiona Ni Foong and Abdul Halim, Siti Nadiah and Jotani, Mukesh M. and Lee, Seemun and Tiekink, Edward R.T. (2019) A new structural motif for cadmium dithiocarbamates: crystal structures and hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates. Zeitschrift für Kristallographie - Crystalline Materials, 234 (5). pp. 341-349. ISSN 2194-4946 E-ISSN 2196-7105 (In Press)

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Abstract

The crystal and molecular structures of two homoleptic morpholine-derived dithiocarbamates of zinc, binuclear {Zn[S2CN(CH2CH2)2O)2]2}2 (1), and cadmium, one-dimensional coordination polymer {Cd[S2CN(CH2CH2) 2O)2]2}2 (2), are described. In 1, a centrosymmetric binuclear molecule is found as there are equal numbers of chelating and bidentate bridging dithiocarbamate ligands; weak transannular Zn · · · S interactions are found within the resultant eight-membered { · · · SCSZn}2 ring which has the form of a chair. The resultant 4 + 1 S5 donor set is highly distorted with the geometry tending towards a squarepyramid. By contrast, a square-planar geometry is found in centrosymmetric 2 defined by symmetrically chelating dithiocarbamate ligands. The presence of Cd · · · S secondary bonding in the crystal of 2 leads to a distorted 4 + 2 S6 octahedron and a linear coordination polymer, which is unprecedented in the structural chemistry of cadmium dithiocarbamates. The analyses of the Hirshfeld surfaces for 1 and 2 show the dominance of H · · · H, S · · · H/H · · · S and O · · · H/H · · · O contacts to the surface, i.e. contributing around 90 and 80%, respectively.

Item Type: Article (Journal)
Additional Information: 6467/65141
Uncontrolled Keywords: Cadmium; Coordination polymer; Crystal structure analysis; Dithiocarbamate; Hirshfeld surface; X-ray diffraction; zinc.
Subjects: Q Science > QD Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button): Kulliyyah of Science > Department of Chemistry
Depositing User: Dr Fiona How
Date Deposited: 03 Jan 2019 15:20
Last Modified: 17 Sep 2019 09:54
URI: http://irep.iium.edu.my/id/eprint/65141

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