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(蒽-9-基)(哌啶-1-基)甲酮

(Anthracen-9-yl)(piperidin-1-yl)-methanone.

作者信息

Hu Hua-You, Huang Yu-Cheng, Yu Hai-Tao, Zhang Yan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Oct 15;64(Pt 11):o2120. doi: 10.1107/S1600536808033205.

Abstract

The title compound, C(20)H(19)NO, is a substructure of CP-640186, a potent inhibitor of mammalian acetyl-coenzyme A carboxyl-ases. In the crystal structure, the amide group forms a dihedral angle of 87.0 (1)° with the plane of the anthracene unit and the piperidine ring adopts a chair conformation. Mol-ecules are arranged into layers parallel to (100) and adjacent anthracene units within layers form dihedral angles of 13.2 (1)°. C-H⋯O inter-actions from the piperidine rings to the C=O group of the amide are observed between layers.

摘要

标题化合物C(20)H(19)NO是CP-640186的一个亚结构,CP-640186是一种有效的哺乳动物乙酰辅酶A羧化酶抑制剂。在晶体结构中,酰胺基团与蒽单元平面形成87.0 (1)°的二面角,哌啶环呈椅式构象。分子排列成平行于(100)的层,层内相邻的蒽单元形成13.2 (1)°的二面角。在层间观察到从哌啶环到酰胺的C=O基团的C-H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e784/2959661/b40a85c3663b/e-64-o2120-fig1.jpg

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