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2,4,6,8-四-(2-氟苯基)-3,7-二氮杂双环-[3.3.1]壬烷-9-酮

2,4,6,8-Tetra-kis(2-fluoro-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

作者信息

Park Dong Ho, Ramkumar V, Parthiban P

机构信息

Department of Biomedicinal Chemistry, Inje University, Gimhae, Gyeongnam 621 749, Republic of Korea.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Feb 1;69(Pt 2):o179. doi: 10.1107/S1600536812051574. Epub 2013 Jan 4.

Abstract

The title compound, C(31)H(24)F(4)N(2)O, exists in a chair-boat conformation with an equatorial orientation of the 2-fluoro-phenyl groups on both sides of the secondary amino group of the chair form. The benzene rings in the 'chair' part are inclined to each other at 19.4 (1)°, while the equivalent angle between the benzene rings in the 'boat' part is 75.6 (1)°. One F atom was treated as disordered over two positions in a 0.838 (4):0.162 (4) ratio. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into chains along [001] and these chains are held together via weak N-H⋯F and C-H⋯F inter-actions.

摘要

标题化合物C(31)H(24)F(4)N(2)O呈椅式-船式构象,在椅式结构仲氨基两侧的2-氟苯基呈赤道取向。“椅式”部分的苯环相互倾斜19.4 (1)°,而“船式”部分苯环之间的等效夹角为75.6 (1)°。一个F原子在两个位置上无序分布,比例为0.838 (4):0.162 (4)。在晶体中,N-H⋯O氢键将分子沿[001]方向连接成链,这些链通过弱N-H⋯F和C-H⋯F相互作用维系在一起。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83e7/3569241/f4d4e71fee80/e-69-0o179-fig1.jpg

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