Heptane Ring System Research Articles

The crystal and molecular structure of 8-acetoxy-6-(2,4-dimethoxy-5-bromophenyl)-3-methyltricyclo[5,2,1,03,8]decan-2-one

The crystal and molecular structure has been determined by the heavy-atom method and refined by the least-squares procedure to R= 83 % for 2033 photographically observed reflexions. The compound crystallizes in the space group P] with two molecules in a unit cell of dimensions a = 1168 + 0-02, b = 1291 +002, c= 1043+002/~, e= 1147+ 1, fl=90-2+ 1 and 7,= 118.3+ 1 °. The unit cell also contains one molecule of the solvent, benzene. The 'cage' part of the molecule exhibits a large number of elongated bonds and strained internal valency angles. The bridgehead angle in the bicyclic heptane ring system is 89 °. The acetate group at C(16) and the methyl group at C(15) are cis to each other.