Synthesis and structure of a binuclear calcium nitrate coordination complex with bridging zwitterionic nicotinic acid

合成及桥联两性离子烟酸的双核硝酸钙配位络合物的结构

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Abstract

The title coordination complex, bis-(μ-pyridin-1-ium-3-carboxyl-ato-κ(2) O:O')bis-[di-aqua-bis-(nitrato-κ(2) O,O')calcium(II)], [Ca(2)(C(6)H(5)NO(2))(2)(NO(3))(4)(H(2)O)(4)], was prepared from calcium nitrate and nicotinic acid in a water-ethanol solvent mixture. The asymmetric unit contains a half mol-ecule of the complex, with the calcium atom exhibiting a coordination number of eight, forming a distorted dodeca-hedral geometry with a mixed-ligand environment. The μ(2)-O,O' bridging zwitterionic nicotinic acid mol-ecules generate a centrosymmetric dinuclear complex. The extended structure features N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, which generate a three-dimensional network. Hirshfeld surface and two-dimensional fingerprint plot analyses were performed to qu-antify and visualize the inter-molecular inter-actions contributing to the overall cohesion of the structure.

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