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10-羟基-10-(1,3-噻唑-2-基甲基)菲-9(10H)-酮

10-Hy-droxy-10-(1,3-thia-zol-2-ylmeth-yl)phenanthren-9(10H)-one.

作者信息

Fun Hoong-Kun, Goh Jia Hao, Liu Yang, Zhang Yan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 16;66(Pt 7):o1683-4. doi: 10.1107/S1600536810022439.

Abstract

In the title phenanthrenone compound, C(18)H(13)NO(2)S, the dihydro-phenanthrene ring system is not planar, with its central ring distorted to a screw-boat conformation. The essentially planar thia-zole ring [maximum deviation = 0.005 (1) Å] is inclined at an inter-planar angle of 23.36 (5)° with respect to the mean plane through the dihydro-phenanthrene ring system. In the crystal packing, inter-molecular O-H⋯N hydrogen bonds link the mol-ecules into infinite chains along the a axis. Weak inter-molecular C-H⋯π inter-actions further stabilize the crystal packing.

摘要

在标题菲醌化合物C(18)H(13)NO(2)S中,二氢菲环系不是平面的,其中心环扭曲成螺旋船构象。基本平面的噻唑环[最大偏差 = 0.005 (1) Å]相对于通过二氢菲环系的平均平面以23.36 (5)°的面间角倾斜。在晶体堆积中,分子间的O-H⋯N氢键将分子沿a轴连接成无限链。弱的分子间C-H⋯π相互作用进一步稳定了晶体堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a241/3006705/3ba44ecdce62/e-66-o1683-fig1.jpg

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