H. Zacharis, L. M. Trefonas
Jun 1, 1968
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Influential Citations
11
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Journal
Journal of Heterocyclic Chemistry
Abstract
The molecular structure of 6-(p-bromobenzoyl)-6-azabicyclo[3.1.0]hexane has been determined by a single crystal, three-dimensional x-ray study. The compound crystallizes in the monoclinic space group (P) with four molecules in a unit cell of dimensions a = 8.83, b = 10.15, c = 12.63 ± 0.02A and β = 94°55′ ± 5′. The aziridine ring is eis fused to the cyclopentane ring with the two rings together in a boat conformation. The fusion angle of the two rings is 110.8°. The aziridine ring has all angles of 60 ±1° and all bond distances of 1.48 ± 0.03A. The cyclopentane ring has alternately long (1.61 ± 0.04A) and short (1.52 ± 0.02A) distances. Non-fusion angles in the cyclopentane ring are 106.0 ± 0.5°. Other molecular parameters are as anticipated. The 844 independent reflections obtained were refined to a final value of R = 0.116 using full-matrix least squares techniques.