Acta Crystallographica, Section C: Crystal Structure Communications 2004-04-01

Tetraaquabis[5-(4-pyridyl N-oxide)tetrazolato-kappaN(2)]cadmium: the intermediate in the synthesis of a tetrazole from a nitrile and an azide.

Zhao Xiang Yu, Xiao Ping Wang, Yaoyu Feng

Index: Acta Crystallogr. C 60(Pt 4) , m194-6, (2004)

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Abstract

The intermediate [Cd(4-PTZ)(2)(H(2)O)(4)] [4-PTZ is 5-(4-pyridyl N-oxide)tetrazolate, C(6)H(4)N(5)O], (I), in the synthesis of 4-HPTZ, (II), from the cycloaddition reaction of 4-cyanopyridine N-oxide with NaN(3) in water using CdCl(2) 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 Cd(2+) 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.