Crystal structure of a cadmium sulfate coordination polymer based on the 3,6-bis-(pyrimidin-2-yl)-1,4-di-hydro-1,2,4,5-tetra-zine ligand

The polymeric title compound, poly[aqua-hemi[μ2-3,6-bis-(pyrimidin-2-yl)-1,4-di-hydro-1,2,4,5-tetra-zine](μ3-sulfato)-cadmium(II)], [Cd(SO4)(C10H8N8)0.5(H2O)] n , (I), represents an example of a three-dimensional coordination polymer resulting from the reaction of CdSO4·8/3H2O with 3,6-bis-(pyrimidi...

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Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2020-06, Vol.76 (Pt 6), p.958-961
Main Authors: Jiajaroen, Suwadee, Chainok, Kittipong
Format: Article
Language:English
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Research Communications
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Summary:The polymeric title compound, poly[aqua-hemi[μ2-3,6-bis-(pyrimidin-2-yl)-1,4-di-hydro-1,2,4,5-tetra-zine](μ3-sulfato)-cadmium(II)], [Cd(SO4)(C10H8N8)0.5(H2O)] n , (I), represents an example of a three-dimensional coordination polymer resulting from the reaction of CdSO4·8/3H2O with 3,6-bis-(pyrimidin-2-yl)-1,4-di-hydro-1,2,4,5-tetra-zine (H2bmtz, C10H8N8) under hydro-thermal conditions. The CdII atom has a distorted octa-hedral coordination environment defined by two nitro-gen atoms from one H2bmtz ligand, three oxygen atoms from three different sulfate anions, and one oxygen atom from a coordinating water mol-ecule. The 1,4-di-hydro-1,2,4,5-tetra-zine ring of the H2bmtz ligand is located about an inversion center, with the NH group being equally disordered over two sites. The sulfate anion acts as a μ3-bridging ligand to connect three CdII atoms, resulting in the formation of [Cd(SO4)(H2O)] sheets propagating parallel to the bc plane. Adjacent sheets are inter-connected across the H2bmtz ligands, which coordinate the CdII atoms in a bis-bidentate coordination mode, to form a three-dimensional framework structure. The framework is further stabilized by classical O-H⋯O hydrogen bonds involving the coordinating water mol-ecules and the sulfate groups, and by N-H⋯O hydrogen bonds between the disordered tetra-zine NH groups and sulfate oxygen atom, along with C-H⋯π and π-π stacking [centroid-to-centroid separation = 3.5954 (15) Å] inter-actions between parallel pyrimidine rings of the H2bmtz ligand.The polymeric title compound, poly[aqua-hemi[μ2-3,6-bis-(pyrimidin-2-yl)-1,4-di-hydro-1,2,4,5-tetra-zine](μ3-sulfato)-cadmium(II)], [Cd(SO4)(C10H8N8)0.5(H2O)] n , (I), represents an example of a three-dimensional coordination polymer resulting from the reaction of CdSO4·8/3H2O with 3,6-bis-(pyrimidin-2-yl)-1,4-di-hydro-1,2,4,5-tetra-zine (H2bmtz, C10H8N8) under hydro-thermal conditions. The CdII atom has a distorted octa-hedral coordination environment defined by two nitro-gen atoms from one H2bmtz ligand, three oxygen atoms from three different sulfate anions, and one oxygen atom from a coordinating water mol-ecule. The 1,4-di-hydro-1,2,4,5-tetra-zine ring of the H2bmtz ligand is located about an inversion center, with the NH group being equally disordered over two sites. The sulfate anion acts as a μ3-bridging ligand to connect three CdII atoms, resulting in the formation of [Cd(SO4)(H2O)] sheets propagating parallel to the bc plane. Adjacent sheets are inter-conn
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989020006830