The crystal and molecular structure of trans-2,5-di-p-bromobenzyl-2,5-diethoxycarbonylcyclohexane 1,4-dione

Abstract

Crystals of trans-2,5-di-p-bromobenzyl-2,5-diethoxycarbonylcyclohexane-l,4-dione are monoclinic, space group P21/c, with a= 14-41 (1), b = 6.024 (5), c= 14.79 (1) A, fl= 102-2 (1) ° and Z= 2. The structure was solved by direct methods and refined by full-matrix least-squares calculations with 1886 visual reflexions to a conventional R value of 0.129. The cyclohexane-l,4-dione moiety exists in the chair conformation, the more bulky p-bromobenzyl groups occupying the equatorial positions.