Chakrabarti P, Banerjee D K, Venkatesan K
Steroids. 1981 Mar;37(3):269-79. doi: 10.1016/s0039-128x(81)90254-3.
The molecular conformation of dl-8-isotestosterone has been determined crystallographically. Crystals of the title compound belong to the space group P21/c with a = 11.449(4), b = 10.962(4), c = 25.860(5) A, beta = 100.95(4)o, with two molecules in the asymmetric unit. The structure has been refined to a final R value of 0.052 for 2227 reflections. Unlike testosterone, which is a flat molecule, its 8-isomer has a folded conformation. The conformations of the ring-B in the two crystallographically independent molecules (A and B) corresponded to the twist form and differ significantly from one another.
已通过晶体学方法确定了dl-8-异睾酮的分子构象。标题化合物的晶体属于空间群P21/c，a = 11.449(4)，b = 10.962(4)，c = 25.860(5) Å，β = 100.95(4)°，不对称单元中有两个分子。该结构已针对2227个反射精修至最终R值为0.052。与扁平分子睾酮不同，其8-异构体具有折叠构象。两个晶体学独立分子（A和B）中环B的构象对应于扭曲形式，且彼此差异显著。
