Crystal and molecular structure of 3-methoxy-8β-methyloestradiol 17-monobromoacetate

Abstract

The crystal structure of 3-methoxy-8β-methyloestradiol 17-monobromoacetate, C₂₂H₂₉O₃Br, has been determined by a three-dimensional X-ray analysis. The crystals are monoclinic with a= 11·84, b= 8·08, c= 10·47 Å, and β= 96° 39′, in space group P2₁. The crystal structure was solved by the heavy-atom method and refined by the least-squares method. The final value of R over the 715 independent reflexions was 0·094. The ring C of the steroid skeleton has a normal chair form, and ring D is represented by the slightly deformed β-envelope conformation.