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Synthesis, Crystal Structure and Thermal Behavior of 1D Chain Coordination Polymer [Ca(2-OPA)_2(H_2O)_2]_n Constructed by 2-oxo-1(4H)-pyridineacetate Ligand

Zhang Zhu

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Abstract

A novel coordination polymer of [Ca(2-OPA)2(H2O)2]n (2-OPA-=2-oxo-1(4H)-pyridineacetate anion) was synthesized and characterized by elemental analysis, IR, TG and single crystal X-ray diffraction. The title complex crystallizes in orthorhombic with space group Pna21, a=0.799 96(16) nm, b=0.823 77(16) nm, c=2.415 3(5) nm, V=1.591 6(6) nm3, Z=4, R=0.030 3, wR=0.070 0. The Ca atom is eight-coordinated by six O atoms of four 2-OPA- ligands and two water molecules, and displays a dodecahedron coordination geometry. Each 2-OPA- ligand bridges two adjacent Ca atoms, forming a infinite chain along the a direction. The Ca...Ca distance is 0.4102 2(8)nm. A two-dimensional supramolecular framework is further constructed by the hydrogen bonds and the weak π-π interactions. The results of TG analysis show the chain structure of the title complex was stable under 297.5 ℃. CCDC: 251669.

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A novel coordination polymer of [Ca(2-OPA)2(H2O)2]n (2-OPA-=2-oxo-1(4H)-pyridineacetate anion) was synthesized and characterized by elemental analysis, IR, TG and single crystal X-ray diffraction. The title complex crystallizes in orthorhombic with space group Pna21, a=0.799 96(16) nm, b=0.823 77(16) nm, c=2.415 3(5) nm, V=1.591 6(6) nm3, Z=4, R=0.030 3, wR=0.070 0. The Ca atom is eight-coordinated by six O atoms of four 2-OPA- ligands and two water molecules, and displays a dodecahedron coordination geometry. Each 2-OPA- ligand bridges two adjacent Ca atoms, forming a infinite chain along the a direction. The Ca...Ca distance is 0.4102 2(8)nm. A two-dimensional supramolecular framework is further constructed by the hydrogen bonds and the weak π-π interactions. The results of TG analysis show the chain structure of the title complex was stable under 297.5 ℃. CCDC: 251669.

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Available abstract

A novel coordination polymer of [Ca(2-OPA)2(H2O)2]n (2-OPA-=2-oxo-1(4H)-pyridineacetate anion) was synthesized and characterized by elemental analysis, IR, TG and single crystal X-ray diffraction. The title complex crystallizes in orthorhombic with space group Pna21, a=0.799 96(16) nm, b=0.823 77(16) nm, c=2.415 3(5) nm, V=1.591 6(6) nm3, Z=4, R=0.030 3, wR=0.070 0. The Ca atom is eight-coordinated by six O atoms of four 2-OPA- ligands and two water molecules, and displays a dodecahedron coordination geometry. Each 2-OPA- ligand bridges two adjacent Ca atoms, forming a infinite chain along the a direction. The Ca...Ca distance is 0.4102 2(8)nm. A two-dimensional supramolecular framework is further constructed by the hydrogen bonds and the weak π-π interactions. The results of TG analysis show the chain structure of the title complex was stable under 297.5 ℃. CCDC: 251669.

Key concepts: Orthorhombic crystal system, Crystallography, Dodecahedron, Ligand (biochemistry), Crystal structure, Coordination polymer, Hydrogen bond, Supramolecular chemistry

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Synthesis, Crystal Structure and Thermal Behavior of 1D Chain Coordination Polymer [Ca(2-OPA)_2(H_2O)_2]_n Constructed by 2-oxo-1(4H)-pyridineacetate Ligand — Research Paper | ScholarLens