Abstract

The title coordination polymer, [Ni(C7H3NO4)(C4H4N2)(C2H6OS)] n , consists of [010] chains composed of Ni(II) ions linked by bis-monodentate-bridging pyrazine mol-ecules. Each of the two crystallographically distinct Ni(II) ions is located on a mirror plane and is additionally coordinated by a dimethyl sulfoxide (DMSO) ligand through the oxygen atom and by a tridentate 2,6-pyridine-di-carb-oxy-lic acid dianion through one of each of the carboxyl-ate oxygen atoms and the pyridine nitro-gen atom, leading to a distorted octa-hedral coordination environment. The title structure exhibits an inter-esting complementarity between coordinative bonding and π-π stacking where the Ni-Ni distance of 7.0296 (4) Å across bridging pyrazine ligands allows the pyridine moieties on two adjacent chains to inter-digitate at halfway of the Ni-Ni distance, resulting in π-π stacking between pyridine moieties with a centroid-to-plane distance of 3.5148 (2) Å. The double-chain thus formed also exhibits C-H⋯π inter-actions between pyridine C-H groups on one chain and pyrazine mol-ecules on the other chain. As a result, the inter-ior of the double-chain structure is dominated by π-π stacking and C-H⋯ π inter-actions, while the space between the double-chains is occupied by a C-H⋯O hydrogen-bonding network involving DMSO ligands and carboxyl-ate groups located on the exterior of the double-chains. This separation of dissimilar inter-actions in the inter-ior and exterior of the double-chains further stabilizes the crystal structure.

Highlights

  • The title coordination polymer, [Ni(C7H3NO4)(C4H4N2)(C2H6OS)]n, consists of [010] chains composed of NiII ions linked by bis-monodentate-bridging pyrazine molecules

  • Each of the two crystallographically distinct NiII ions is located on a mirror plane and is coordinated by a dimethyl sulfoxide (DMSO)

  • During our investigation of the rational design and synthesis of coordination polymers, we have previously reported a dinuclear NiII complex obtained by reacting 2,6-pyridine dicarboxylic acid and nickel carbonate using water as solvent (Liu et al, 2011)

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Summary

Chemical context

– interactions are considered important mechanisms for molecular recognition and may function as structure-directing factors in the design and preparation of coordination polymers. – interactions are not always observed in the final coordination polymer by using starting materials containing aromatic moieties. During our investigation of the rational design and synthesis of coordination polymers, we have previously reported a dinuclear NiII complex obtained by reacting 2,6-pyridine dicarboxylic acid and nickel carbonate using water as solvent (Liu et al, 2011). The intermolecular force between the dinuclear complexes is dominated by hydrogen bonding. We recently repeated the synthesis of this compound using dimethyl sulfoxide (DMSO) as solvent under solvothermal conditions and obtained the title compound. We report its synthesis and structure which exhibits both – stacking and C—H interactions involving two different aromatic molecules, viz

Structural commentary
Synthesis and crystallization
Refinement
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