Yusufzai Samina Khan, Osman Hasnah, Sulaiman Othman, Arshad Suhana, Razak Ibrahim Abdul
Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o473-4. doi: 10.1107/S1600536812001432. Epub 2012 Jan 21.
The asymmetric unit of the title compound, C(32)H(51)N(3)O(3), consists of two crystallographically independent mol-ecules, A and B; the 2-methyl-pentane group of mol-ecule A and the propane group of mol-ecule B are each disordered over two sets of sites, with refined site-occupancies of 0.825 (5):0.175 (5) and 0.630 (18):0.370 (18), respectively. In both mol-ecules, the three cyclo-hexane rings in the steroid fused ring systems adopt chair conformations while the cyclo-pentane rings adopt envelope and twist conformations in mol-ecules A and B, respectively. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link the two independent mol-ecules together, generating R(2) (1)(7) and R(2) (2)(8) ring motifs.
标题化合物C(32)H(51)N(3)O(3)的不对称单元由两个晶体学独立的分子A和B组成；分子A的2-甲基戊基和分子B的丙基各自在两组位置上无序，精制的位点占有率分别为0.825 (5):0.175 (5)和0.630 (18):0.370 (18)。在两个分子中，甾体稠环体系中的三个环己烷环均呈椅式构象，而环戊烷环在分子A和B中分别呈信封式和扭曲式构象。在晶体中，N-H⋯O和C-H⋯O氢键将两个独立的分子连接在一起，形成R(2) (1)(7)和R(2) (2)(8)环 motif。
