Title of article :
Bis(N,N-di­ethyl­di­thio­carbamato-κ2S,S′)(3-hy­dr­oxy­pyridine-κN)zinc and bis­­[N-(2-hy­dr­oxy­eth­yl)-N-methyldi­thio­carbamato-κ2S,S′](3-hy­dr­oxy­pyridine-κN)zinc: crystal structures and Hirshfeld surface analysis
Author/Authors :
Jotani, Mukesh M. Department of Physics - Bhavan's Sheth R. A. College of Science, India , Arman, Hadi D. Department of Chemistry - The University of Texas at San Antonio - One UTSA Circle, USA , Poplaukhin, Pavel Chemical Abstracts Service, USA , Tiekink, Edward R. T. Research Centre for Crystalline Materials - Faculty of Science and Technology - Sunway University, Malaysia
Pages :
24
From page :
1
To page :
24
Abstract :
The common feature of the mol­ecular structures of the title compounds, [Zn(C5H10NS2)2(C5H5NO)], (I), and [Zn(C4H8NOS2)2(C5H5NO)], (II), are NS4 donor sets derived from N-bound hy­droxy­pyridyl ligands and asymmetrically chelating di­thio­carbamate ligands. The resulting coordination geometries are highly distorted, being inter­mediate between square pyramidal and trigonal bipyramidal for both independent mol­ecules comprising the asymmetric unit of (I), and significantly closer towards square pyramidal in (II). The key feature of the mol­ecular packing in (I) is the formation of centrosymmetric, dimeric aggregates sustained by pairs of hy­droxy-O—H⋯S(di­thio­carbamate) hydrogen bonds. The aggregates are connected into a three-dimensional architecture by methyl­ene-C—H⋯O(hy­droxy) and methyl-C—H⋯π(chelate) inter­actions. With greater hydrogen-bonding potential, supra­molecular chains along the c axis are formed in the crystal of (II), sustained by hy­droxy-O—H⋯O(hy­droxy) hydrogen bonds, with ethyl­hydroxy and pyridyl­hydroxy groups as the donors, along with ethyl­hydroxy-O—H⋯S(di­thio­carbamate) hydrogen bonds. Chains are connected into layers in the ac plane by methyl­ene-C—H⋯π(chelate) inter­actions and these stack along the b axis, with no directional inter­actions between them. An analysis of the Hirshfeld surfaces clearly distinguished the independent mol­ecules of (I) and reveals the importance of the C—H⋯π(chelate) inter­actions in the packing of both (I) and (II).
Keywords :
crystal structure , Hirshfeld surface analysis , hydrogen bonding , hy­droxy­pyridine , di­thio­carbamate , zinc
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2016
Full Text URL :
Record number :
2619861
Link To Document :
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