Synthesis, supramolecular structure, and energetic properties of the first metal–organic nitrotetrazolate, [Me3Sn(μ-OH)SnMe3(μ-OH)SnMe3(H2O)][NT] (NT = 5-nitrotetrazolate)

The first metal–organic 5-nitrotetrazolate, [Me3Sn(μ-OH)SnMe3(μ-OH)SnMe3(H2O)][NT] (2), has been prepared by a simple metathetical reaction between Me3SnCl and sodium 5-nitrotetrazolate dihydrate (= NaNT, 1). A single-crystal X-ray diffraction study revealed the presence of the trinuclear [Me3Sn(μ-OH)SnMe3(μ-OH)SnMe3(H2O)]+ cation to which the 5-nitrotetrazolate anion is coordinated via a ring-N atom. The NT anion is further engaged in four different Osingle bondH⋯N and Osingle bondH⋯N hydrogen bonds involving the remaining three ring-nitrogen atoms and one oxygen of the nitro group, leading to an extensive supramolecular hydrogen-bonded network in the solid state. Despite its very low N content of only 10.65%, compound 2 is highly impact-sensitive (< 2.5 J) and can be classified as a primary explosive.