Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 17;65(Pt 1):o151. doi: 10.1107/S1600536808042359.
In the title compound, C(14)H(15)IO(4)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran ring system. The crystal structure is stabilized by inter-molecular C-H⋯π inter-actions between an H atom of the propyl methyl-ene group closest to the carboxyl-ate O atom and the benzene ring of a neighbouring mol-ecule, and between an H atom of the outer propyl methyl-ene group and the furan ring of a neighbouring mol-ecule, respectively. Additionally, the crystal structure exhibits inter-molecular C-H⋯O hydrogen bonds.
在标题化合物C₁₄H₁₅IO₄S中，甲基亚砜取代基的O原子和甲基位于苯并呋喃环系统平面的相对两侧。晶体结构通过分子间C-H⋯π相互作用得以稳定，这种相互作用分别存在于最靠近羧酸根O原子的丙基亚甲基的一个H原子与相邻分子的苯环之间，以及外侧丙基亚甲基的一个H原子与相邻分子的呋喃环之间。此外，晶体结构还存在分子间C-H⋯O氢键。
