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

The title compound is C₁₁H₁₇N₄I, F.W.=330.20, monoclinic, space group P2₁/a, a=11.586(2), b=10.617(1), c=10.417(1) Å, β=94.567(2)°, Z=4, F(000)=652, λ(Mo Kα)=0.7107 Å, μ(Mo Kα)=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 an R value 0.031 for 1620 observed reflections. The connectivity and conformation of the addition product of cis-1,5-cyclononadiene and iodine azide was determined by X-ray analysis. The reaction product contains a chair-conformation cyclohexane ring that is cis 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.