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Synthesis of Triazole and Tetrazole-Functionalized Zr-Based Metal-Organic Frameworks Through Post-Synthetic Ligand Exchange
Published on: June 23, 2023
5-(Pyridinium-3-yl)tetra-zol-1-ide hexa-aqua-magnesium dichloride
1Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
Abstract:
In the title compound, (C(6)H(5)N(5))(2)[Mg(H(2)O)(6)]Cl(2), the asymmetric unit contains one zwitterionic 5-(pyridinium-3-yl)tetra-zol-1-ide mol-ecule, one half of an [Mg(H(2)O)(6)](2+) cation ( symmetry) and one chloride ion. The Mg(II) ion is surrounded by six water mol-ecules, with their O atoms located at the apices, exhibiting a slightly distorted octa-hedral coordination. Mg-O bond lengths range from 2.0526 (14) to 2.0965 (16) Å [mean value = 2.068 Å]. The pyridine and tetra-zole rings are nearly coplanar and only twisted from each other by a dihedral angle of 5.68 (1)°. The zwitterionic organic mol-ecules, anions and cations are connected by O-H⋯Cl, O-H⋯N and N-H⋯Cl hydrogen bonds, leading to the formation of a three-dimensional network.
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