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Crystal and molecular structure of 6-(p-iodobenzenesulfonyl)-3-oxa-6-azabicyclo[3.1.0]hexane
Authors:L. M. Trefonas  Tatsuo Sato
Abstract: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 C2/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.
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