Crystal and molecular structure of 6‐( p ‐iodobenzenesulfonyl)‐3‐oxa‐6‐azabicyclo[3.1.0]hexane

The crystal and molecular structure of 6‐( p ‐iodobenzenesulfonyl)‐3‐oxa‐6‐azabicyclo‐[3.1.0]hexane has been determined by a three‐dimensional single‐crystal x‐ray diffraction study. The compound crystallizes in the monoclinic space group C 2 /c with cell dimensions, a = 19.76, b = 8.17, c = 15.72 ± 0.003 Å and β = 109.3° ± 0.2°. The aziridine ring is fused cis to the oxa‐cyclopentane ring with fusion angles of 112°. The bicyclic system is in the boat conformation with the p ‐iodobenzenesulfonate group at an angle of 98.0° to it. The conformation of the ring system is discussed. A final value of R = 0.099 was obtained for the 1107 independent reflections.