Sterically promoted N² bound tetrazolate complex formation in the 1,3-dipolar cycloaddition of p-OMeC₆H₄CN to the coordinated azide in the palladium complex [Pd(N-N-S)(N₃)]. X-ray crystal structure of [Pd(N-N-S)(N₄C-p-OMeC₆H₄]

Abstract

The 1,3-dipolar cycloaddition of p-OMeC₆H₄CN to the coordinated azide in the [PdL(N₃)] complex (HL=methyl 2-(((2-diethylamino)ethyl)amino)cyclopent-1-enedithiocarboxylate) has been studied, the tetrazolate complex [PdL(N₄C-p-OMeC₆H₄) (1) thus produced has been characterized from its IR and ¹H NMR spectra, and X-ray crystal structure. Complex 1 crystallizes in the triclinic space group PI^- with a=8.922(1), b=17.041(1), c=8.043(1) Å, α=90.26(1), β=101.68(1), γ=82.81(1)°, V=1187.8(4) ų and D_calc=1.546 g cm^-3 for Z=2. The structure was solved by the heavy-atom technique and refined by the block-diagonal least squares method to converge at R=0.057 and R_w=0.051 for 3669 observed (|F_o|>3σ|F_o|) reflections. The tetrazole in 1 is bound to Pd through its N² nitrogen atom.