title: Bis(N,N-di-ethyl-dithio-carbamato-κ2S,S')(3-hy-droxy-pyridine-κN)zinc and bis-[N-(2-hy-droxy-eth-yl)-N-methyldithio-carbamato-κ2S,S'](3-hy-droxy-pyridine-κN)zinc: crystal structures and Hirshfeld surface analysis.
abstract: The common feature of the mol-ecular structures of the title compounds, [Zn(C5H10NS2)2(C5H5NO)], (I), and [Zn(C4H8NOS2)2(C5H5NO)], (II), are NS4donor sets derived fromN-bound hy-droxy-pyridyl ligands and asymmetrically chelating di-thio-carbamate ligands. The resulting coordination geometries are highly distorted, being inter-mediate between square pyramidal and trigonal bipyramidal for both independent mol-ecules comprising the asymmetric unit of (I), and significantly closer towards square pyramidal in (II). The key feature of the mol-ecular packing in (I) is the formation of centrosymmetric, dimeric aggregates sustained by pairs of hy-droxy-O-H⋯S(di-thio-carbamate) hydrogen bonds. The aggregates are connected into a three-dimensional architecture by methyl-ene-C-H⋯O(hy-droxy) and methyl-C-H⋯π(chelate) inter-actions. With greater hydrogen-bonding potential, supra-molecular chains along thecaxis are formed in the crystal of (II), sustained by hy-droxy-O-H⋯O(hy-droxy) hydrogen bonds, with ethyl-hydroxy and pyridyl-hydroxy groups as the donors, along with ethyl-hydroxy-O-H⋯S(di-thio-carbamate) hydrogen bonds. Chains are connected into layers in theacplane by methyl-ene-C-H⋯π(chelate) inter-actions and these stack along thebaxis, with no directional inter-actions between them. An analysis of the Hirshfeld surfaces clearly distinguished the independent mol-ecules of (I) and reveals the importance of the C-H⋯π(chelate) inter-actions in the packing of both (I) and (II).
authors.affiliation: Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380 001, India.
authors.forename: Mukesh M
authors.initials: MM
authors.lastname: Jotani
authors.affiliation: Department of Chemistry, The University of Texas at San Antonio, One UTSA Circle, San Antonio, Texas 78249-0698, USA.
authors.forename: Hadi D
authors.initials: HD
authors.lastname: Arman
authors.affiliation: Chemical Abstracts Service, 2540 Olentangy River Rd, Columbus, Ohio, 43202, USA.
authors.forename: Pavel
authors.initials: P
authors.lastname: Poplaukhin
authors.affiliation: Research Centre for Crystalline Materials, Faculty of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.
authors.forename: Edward R T
authors.initials: ER
authors.lastname: Tiekink
keywords: Hirshfeld surface analysis; crystal structure; di­thio­carbamate; hydrogen bonding; hy­droxy­pyridine; zinc