Fun Hoong-Kun, Liew Wei-Ching, Rai Sankappa, Shetty Prakash, Isloor Arun M
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 25;65(Pt 8):o1999-2000. doi: 10.1107/S1600536809029031.
The title compound, C(12)H(19)IO(5), is the ortho-rhom-bic polymorph of a previously reported monoclinic form [Krajewski et al. (1987 ▶). Bull. Pol. Acad. Sci. Chem.35, 91-102]. The dihedral angles between the six-membered ring and the two five-membered rings are 67.66 (14) and 71.79 (13)°, whereas the dihedral angle between the five-membered rings is 74.41 (12)°, indicating that all three rings are twisted from each other. The six-membered ring has a twist-boat conformation while both of the five-membered rings have envelope conformations. The crystal structure is stabilized by a network of C-H⋯O contacts linking the mol-ecules into a two-dimensional array parallel to the ab plane.
标题化合物C(12)H(19)IO(5)是先前报道的单斜晶型[Krajewski等人,(1987 ▶)。《波兰科学院化学通报》35, 91 - 102]的正交晶型多晶型物。六元环与两个五元环之间的二面角分别为67.66 (14)°和71.79 (13)°,而五元环之间的二面角为74.41 (12)°,这表明所有三个环相互扭曲。六元环具有扭船构象,而两个五元环均具有信封构象。晶体结构通过C-H⋯O接触网络得以稳定,该网络将分子连接成平行于ab平面的二维阵列。