Mertsalov Dmitriy F, Surina Nataliya S, Sorokina Elena A, Çelikesir Sevim Türktekin, Akkurt Mehmet, Grigoriev Mikhail S, Mlowe Sixberth
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.
Acta Crystallogr E Crystallogr Commun. 2021 Apr 16;77(Pt 5):532-536. doi: 10.1107/S2056989021003273. eCollection 2021 May 1.
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.
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。