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Tetra­aqua­bis­[5-(4-pyridyl N-oxide)­tetrazolato-N2]­cadmium: the intermediate in the synthesis of a tetrazole from a nitrile and an azide

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Abstract:

The intermediate [Cd(4-PTZ)2(H2O)4] [4-PTZ is 5-(4-pyridyl N-oxide)­tetrazolate, C6H4N5O], (I), in the synthesis of 4-HPTZ, (II), from the cyclo­addition reaction of 4-cyano­pyridine N-oxide with NaN3 in water using CdCl2 as catalyst, was structurally characterized. The unique Cd atom lies on a twofold axis and the coordination geometry of the Cd atom is that of a slightly distorted octahedron, involving four water mol­ecules and two tetrazolate ligands. The catalytic role of the Cd2+ ion in the tetrazole generation reaction stems from the formation of (I). In acidic solution, (I) can be disassociated and the free ligand, (II), can be released.

Document Type: Research Article

DOI: http://dx.doi.org/10.1107/S0108270104005864

Publication date: April 1, 2004

bsc/ayc/2004/00000060/00000004/art00024
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