Ma Yanni, Sun Yifang, Zheng Feng, Sun Wenwen, Zhou Le
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1484. doi: 10.1107/S1600536811015212. Epub 2011 May 20.
In the title compound, C(16)H(13)IN(2), the two benzene rings make a dihedral angle of 67.26 (5)°. The six-membered heterocycle of the tetra-hydro-isoquinoline unit adopts a half-chair conformation. In the crystal, adjacent mol-ecules are linked by pairs of weak inter-molecular C-H⋯N hydrogen bonds, forming inversion dimers. An intra-molecular C-H⋯I close contact is also observed.
在标题化合物C₁₆H₁₃IN₂中,两个苯环形成的二面角为67.26(5)°。四氢异喹啉单元的六元杂环呈半椅构象。在晶体中,相邻分子通过成对的弱分子间C—H⋯N氢键相连,形成反演二聚体。还观察到分子内C—H⋯I紧密接触。