首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >(6aS*6bS*11R*11aR*)-6-(2-Furyl­methyl)-512-dioxo-566a6b71111a12-octa­hydro­furo3′2′:56isoindolo21-aquinazoline-11-carb­oxy­lic acid
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(6aS*6bS*11R*11aR*)-6-(2-Furyl­methyl)-512-dioxo-566a6b71111a12-octa­hydro­furo3′2′:56isoindolo21-aquinazoline-11-carb­oxy­lic acid

机译:(6aS *6bS *11R *11aR *)-6-(2-呋喃甲基)-512-二氧代-566a6b71111a12-八氢呋喃32 ′:56异吲哚并21-a喹唑啉-11-羧酸

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摘要

The title compound, C23H18N2O6, is the product of an intra­molecular thermal cyclo­addition within 1-malein-2-[(E)-2-(2-fur­yl)vin­yl]-4-oxo-3,4-dihydro­quinazoline. The mol­ecule comprises a previously unknown fused penta­cyclic system containing two five-membered rings (2-pyrrolidinone and furan) and three six-membered rings (benzene, 2,3-dihydro-4-pyrimidinone and dihydro­cyclo­hexa­ne). The central five-membered pyrrolidinone ring has the usual envelope conformation. The six-membered dihydro­pyrimidinone and dihydro­cyclo­hexane rings adopt a half-boat and a half-chair conformation, respectively. The dihedral angle between the planes of the terminal benzene and furan rings is 45.99 (7)°. In the crystal, O—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers. Weak C—H⋯O hydrogen bonds consolidate further the crystal packing, which exhibits π–π inter­actions, with a short distance of 3.556 (3) Å between the centroids of benzene rings of neighbouring mol­ecules.
机译:标题化合物C23H18N2O6是1-马来酸-2-[((E)-2-(2-呋喃基)乙烯基)-4-氧代-3,4-二氢喹唑啉中分子内热环加成的产物。该分子由一个以前未知的稠合五环系统组成,该系统包含两个五元环(2-吡咯烷酮和呋喃)和三个六元环(苯,2,3-二氢-4-嘧啶酮和二氢环己烯)。中心的五元吡咯烷酮环具有通常的包膜构象。六元二氢嘧啶酮和二氢环己烷己烷环分别具有半舟和半椅构型。末端苯环和呋喃环平面之间的二面角为45.99(7)°。在晶体中,OH氢键将分子连接成中心对称的二聚体。弱的C-H⋯O氢键进一步巩固了晶体堆积,表现出π-π相互作用,相邻分子的苯环质心之间的距离很短,为3.556(3)Å。

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