Conformational studies. Part 10. Crystal and molecular structure of 17β-iodoacetoxy-4,4-dimethyl-5α-androst-7-en-3-one
Abstract
The crystal and molecular structure of the title compound, (2), C23H33O3I, has been determined by single-crystal X-ray techniques. Crystals are trigonal, space group P32, with six molecules per unit cell (two independent molecules per asymmetric unit) of dimensions a= 22.982(3) and c= 7.547(1)Å. The structure was solved by the heavy-atom method and refined by least-squares calculations to R 0.064 for 1 686 observed reflections. The steroid frameworks of both molecules have essentially the same conformations, the only differences being in the orientations of the 17β-iodoacetoxy-side-chains. Ring A of the steroid skeleton has a very flattened chair conformation, ring B is a distorted half-chair, ring C a flattened chair, and ring D a distorted envelope.
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