Orozco Fabían, Insuasty Braulio, Low John N, Cobo Justo, Glidewell Christopher
Departamento de Química, Universidad de Valle, AA 25360 Cali, Colombia.
Acta Crystallogr C. 2008 Mar;64(Pt 3):o162-5. doi: 10.1107/S010827010800396X. Epub 2008 Feb 16.
The title compound, C(36)H(16)O(6), (I), was obtained as a new and unexpected oxidation product of 1,2'-biindene-1',3,3'(2H)-trione. The molecules of (I) exhibit approximate, but noncrystallographic, twofold rotation symmetry and the central ring of the fused pentacyclic portion is distinctly puckered, with a conformation intermediate between half-chair and screw-boat. Six independent C-H...O hydrogen bonds link the molecules into a three-dimensional framework structure of considerable complexity. Comparisons are drawn between the crystal structure of (I) and those of several simpler analogues, which show wide variation in their patterns of supramolecular aggregation.
标题化合物C(36)H(16)O(6)，即(I)，是1,2'-联茚-1',3,3'(2H)-三酮一种新的意外氧化产物。(I)的分子呈现出近似但非晶体学的二重旋转对称性，稠合五环部分的中心环明显呈褶皱状，构象介于半椅式和螺旋船式之间。六个独立的C-H...O氢键将分子连接成一个具有相当复杂性的三维骨架结构。对(I)的晶体结构与几种更简单类似物的晶体结构进行了比较，结果表明它们的超分子聚集模式存在很大差异。
