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4,5-二溴-2-(4-甲氧基苯基)-2,3,4,4a,5,6,7,7a-八氢-1,4,6-环氧-1-环戊并[c]吡啶-1-酮的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 4,5-di-bromo-2-(4-meth-oxy-phen-yl)-2,3,4,4a,5,6,7,7a-octa-hydro-1-4,6-ep-oxy-1-cyclo-penta-[]pyridin-1-one.

作者信息

Mertsalov Dmitriy F, Surina Nataliya S, Sorokina Elena A, Çelikesir Sevim Türktekin, Akkurt Mehmet, Grigoriev Mikhail S, Mlowe Sixberth

机构信息

Department of Organic Chemistry, Peoples' Friendship University of Russia (RUDN University), 6 Miklukho-Maklaya St., 117198, Moscow, Russian Federation.

Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 Apr 16;77(Pt 5):532-536. doi: 10.1107/S2056989021003273. eCollection 2021 May 1.

Abstract

The mol-ecule of the title compound, CHBrNO, comprises a fused tricyclic system consisting of two five-membered rings (cyclo-pentane and tetra-hydro-furan) and one six-membered ring (tetra-hydro-pyridinone). Both five-membered rings of the tricyclic system have envelope conformations, and the conformation of the six-membered cycle is inter-mediate between chair and half-chair. In the crystal, the mol-ecules are linked by C-H⋯O hydrogen bonds and C-H⋯π, C-Br⋯π and C⋯O inter-actions into double layers. The layers are connected into a three-dimensional network by van der Waals inter-actions.

摘要

标题化合物CHBrNO的分子包含一个稠合的三环体系,该体系由两个五元环(环戊烷和四氢呋喃)和一个六元环(四氢吡啶酮)组成。三环体系的两个五元环均具有信封式构象,六元环的构象介于椅式和半椅式之间。在晶体中,分子通过C—H⋯O氢键以及C—H⋯π、C—Br⋯π和C⋯O相互作用连接成双层。这些层通过范德华相互作用连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2290/8100279/48982be04d04/e-77-00532-fig1.jpg

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