Abstract
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.
Highlights
The polymeric title compound, poly[aquahemi[2-3,6-bis(pyrimidin-2-yl)-1,4dihydro-1,2,4,5-tetrazine](3-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 CdSO4Á8/3H2O with 3,6-bis(pyrimidin-2yl)-1,4-dihydro-1,2,4,5-tetrazine (H2bmtz, C10H8N8) under hydrothermal conditions
The CdII atom has a distorted octahedral coordination environment defined by two nitrogen atoms from one H2bmtz ligand, three oxygen atoms from three different sulfate anions, and one oxygen atom from a coordinating water molecule
The 1,4-dihydro-1,2,4,5-tetrazine ring of the H2bmtz ligand is located about an inversion center, with the NH group being disordered over two sites
Summary
Coordination polymers (CPs) are a class of organic–inorganic hybrid materials formed from metal ions or metal clusters and organic linkers through covalent bonds. The structural organization of CPs can result in chains, sheets or three-dimensional frameworks (Batten et al, 2009). These hybrid materials have received extensive attention over the past three decades owing to their structural features and useful applications in the fields of gas storage and separation, catalysis, chemical sensing, magnetism or proton conduction (Furukawa et al, 2010; Ye & Johnson, 2016; Espallargas & Coronado, 2018; Xu et al, 2016; Zhang et al, 2017). Adjacent sheets are interconnected across the H2bmtz ligands, which exhibit a bisbidentate coordination mode, giving rise to a three-dimensional framework structure, Fig. 3
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