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- W2897864340 abstract "Abstract The crystal and molecular structures of the one-dimensional coordination polymer [Zn(S 2 COEt) 2 ( 4 LH 2 )] n ( 1 ) and binuclear [Zn(S 2 COCy) 2 ] 2 ( 4 LH 2 ) ( 2 ) are described, where 4 LH 2 is N,N′-bis(pyridin-4-ylmethyl)ethanediamide. In 1 , the Zn(S 2 COEt) 2 entities are linked by bidentate bridging 4 LH 2 ligands through the pyridyl-N atoms to generate a twisted supramolecular chain. As a result of monodentate xanthate ligands, the N 2 S 4 donor set defines a distorted tetrahedral coordination geometry and, crucially, allows the participation of the non-coordinating sulfur atoms in supramolecular association. Thus, in the crystal amide-N–H···O(amide) and amide-N–H···S(thione) hydrogen bonds link chains into a three-dimensional architecture. The substitution of the ethyl group in the xanthate ligand with a cyclohexyl group results in very different structural outcomes. In 2 , a binuclear molecule is observed with the coordination geometry for zinc being defined by chelating xanthate ligands and a pyridyl-N atom with the NS 4 donor set defining a highly distorted geometry. In the molecular packing, amide-N–H···S(thione) hydrogen bonds stabilise a supramolecular chain along the a-axis and these are connected into a three-dimensional arrangement by methylene-C–H···O and methylene-C–H···π(pyridyl) interactions. The relative importance of the specified intermolecular interactions and weaker, contributing contacts has been revealed by an analysis of the calculated Hirshfeld surfaces of 1 and 2 ." @default.
- W2897864340 created "2018-10-26" @default.
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- W2897864340 date "2018-10-08" @default.
- W2897864340 modified "2023-09-25" @default.
- W2897864340 title "Steric control of supramolecular association in structures of Zn(S2COR)2 with N,N′-bis(pyridin-4-ylmethyl)oxalamide" @default.
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- W2897864340 doi "https://doi.org/10.1515/zkri-2018-2120" @default.
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