Crystal and molecular structure of 7‐( p ‐lodobenzenesulfonyl)‐7‐azabicyclo 4.1.0 heptane

The structure of 7‐( p ‐iodobenzenesulfonyl)‐7‐azabicyclo[4.1.0]heptane has been determined by a three dimensional single‐crystal x‐ray diffraction study. The compound crystallizes in the monoclinic space group P   2   1/n with cell dimension a 0 = 10.35 ± .005, b 0 = 16.33, c 0 = 8.22 Å and a monoclinic angle, β = 99°40° ± 5′. The aziridine ring is fused cis to the cyclohexane ring with fusion angles of 122°. The cyclohexane ring is flattened appreciably, although still in the chair conformation. Bond distances within the cyclohexane ring are shortened to an average value of 1.49 Å. The p ‐iodobenzene‐sulfonate group is at an angle of 98. 3° to the bicyclic system containing the aziridine and cyclohexane fused rings. A final value of R = 0. 115 was obtained for the 1272 independent reflections.