Boryczka Stanisław, Michalik Ewa, Kusz Joachim, Nowak Maria, Chrobak Elwira
Department of Organic Chemistry, Medical University of Silesia, Sosnowiec 41-200, Poland.
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 27;69(Pt 5):o795-6. doi: 10.1107/S1600536813011008. Print 2013 May 1.
The asymmetric unit of the title compound, C30H48O2, contains two independent mol-ecules, the main difference between them being that the isopropenyl group is rotated by approximately 180°. In each mol-ecule, the fused six-membered rings have chair-chair-chair-chair conformations and the cyclo-pentane ring adopts an envelope conformation with the C atom bearing the hy-droxy-methyl group as the flap. All ring junctions are trans-fused. With the exception of one of the methyl groups adjacent to the C=O group, all the methyl groups are in axial positions. The isopropenyl group is equatorial and the hy-droxy-methyl group is in an axial orientation. In the crystal, weak C-H⋯O inter-actions link the mol-ecules into chains along [010]. Weak intra-molecular C-H⋯O hydrogen bonds are also observed but the hy-droxy groups are not involved in hydrogen bonds.
标题化合物C30H48O2的不对称单元包含两个独立的分子，它们之间的主要区别在于异丙烯基旋转了约180°。在每个分子中，稠合的六元环具有椅式-椅式-椅式-椅式构象，环戊烷环采取信封式构象，带有羟甲基的C原子作为翻盖。所有的环连接均为反式稠合。除了与C=O基团相邻的一个甲基外，所有甲基均处于轴向位置。异丙烯基处于赤道位置，羟甲基处于轴向取向。在晶体中，弱的C-H⋯O相互作用将分子沿[010]方向连接成链。还观察到弱的分子内C-H⋯O氢键，但羟基不参与氢键形成。
