Caracelli Ignez, Zukerman-Schpector Julio, Machado André T Lousada, Brocksom Timothy J, Ferreira M Lúcia, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3192. doi: 10.1107/S160053681104517X. Epub 2011 Nov 5.
In the title compound, C(19)H(26)O(2), the A ring adopts a chair conformation, whereas the B and C rings both adopt distorted half-chair conformations with the quaternary C atom common to both rings lying 0.577 (3) and 0.648 (3) Å out of the approximate plane defined by the remaining five C atoms (r.m.s. deviations = 0.1386 and 0.1156 Å) for the B and C rings, respectively. Mol-ecules are assembled in the crystal through C-H⋯O inter-actions involving both carbonyl O atoms, which lead to supra-molecular chains aligned along the b axis.
在标题化合物C(19)H(26)O(2)中,A环呈椅式构象,而B环和C环均呈扭曲的半椅式构象,两个环共有的季碳原子分别偏离由其余五个碳原子定义的近似平面0.577 (3) Å和0.648 (3) Å(B环和C环的均方根偏差分别为0.1386 Å和0.1156 Å)。分子在晶体中通过涉及两个羰基O原子的C—H⋯O相互作用组装,形成沿b轴排列的超分子链。