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2-(4-碘苯基)-1,2,3,4-四氢异喹啉-1-甲腈

2-(4-Iodo-phen-yl)-1,2,3,4-tetra-hydro-isoquinoline-1-carbonitrile.

作者信息

Ma Yanni, Du Lili, Zhang Qi, Cao Fangjun, Zhou Le

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2072. doi: 10.1107/S1600536811019830. Epub 2011 Jul 23.

Abstract

In the title compound, C(16)H(13)IN(2), the benzene ring of the tetra-hydro-isoquinoline moiety makes a dihedral angle of 45.02 (9)° with the benzene ring of the 4-iodo-phenyl fragment. The N atom and the adjacent unsubstituted C atom of the tetra-hydro-isoquinoline unit are displaced by 0.294 (2) and 0.441 (3) Å, respectively, from the plane through the remaining eight C atoms. In the crystal, pairs of adjacent mol-ecules are linked into dimers by weak inter-molecular C-H⋯π inter-actions.

摘要

在标题化合物C₁₆H₁₃IN₂中,四氢异喹啉部分的苯环与4-碘苯基片段的苯环形成45.02 (9)°的二面角。四氢异喹啉单元的N原子和相邻的未取代C原子分别偏离通过其余八个C原子的平面0.294 (2) 和0.441 (3) Å。在晶体中,相邻分子对通过弱分子间C—H⋯π相互作用连接成二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26b1/3213517/5af9763bca46/e-67-o2072-fig1.jpg

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