The crystal structure of 5-methyl-1-(octahydro-1-iodo-1H-1-inden-4-yl)-1H-tetrazole

Abstract

The title compound is C₁₁H₁₇N₄I, F.W.=330.20, monoclinic, space groupP2₁/a,a=11.586(2),b=10.617(1),c=10.417(1) Å, β=94.567(2)°,Z=4,F(000)=652, λ(MoKα)=0.7107 Å, μ(MoKα)=2.31 mm⁻¹,V=1277.31 Å₃,D _C=1.71 gcm⁻³,D _m=1.70 gcm⁻³. The structurewassolved by Patterson and Fourier methods and refined to anR value 0.031 for 1620 observed reflections. The connectivity and conformation of the addition product ofcis-1,5-cyclononadiene and iodine azide was determined by X-ray analysis. The reaction product contains a chair-conformation cyclohexane ring that iscis fused to a cyclopentane ring. The cyclopentane ring has an envelope conformation and an equatorially oriented iodine substituent. A planar tetrazole ring is axially substituted on the cyclohexane ring. The plane of the tetrazole ring makes a dihedral angle of 69.6° with the average plane of the carbon atoms of the cyclohexane ring.