Suppr超能文献

(6aS*,6bS*,11R*,11aR*)-6-(2-呋喃基甲基)-5,12-二氧代-5,6,6a,6b,7,11,11a,12-八氢-呋喃并[3',2':5,6]异吲哚并[2,1-a]喹唑啉-11-羧酸

(6aS*,6bS*,11R*,11aR*)-6-(2-Furyl-methyl)-5,12-dioxo-5,6,6a,6b,7,11,11a,12-octa-hydro-furo[3',2':5,6]isoindolo[2,1-a]quinazoline-11-carb-oxy-lic acid.

作者信息

Obushak Mykola D, Horak Yuri I, Zaytsev Vladimir P, Motorygina Ekaterina L, Zubkov Fedor I, Khrustalev Victor N

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3031-2. doi: 10.1107/S160053681104311X. Epub 2011 Oct 29.

Abstract

The title compound, C(23)H(18)N(2)O(6), is the product of an intra-molecular thermal cyclo-addition within 1-malein-2-[(E)-2-(2-fur-yl)vin-yl]-4-oxo-3,4-dihydro-quinazoline. The mol-ecule comprises a previously unknown fused penta-cyclic system containing two five-membered rings (2-pyrrolidinone and furan) and three six-membered rings (benzene, 2,3-dihydro-4-pyrimidinone and dihydro-cyclo-hexa-ne). The central five-membered pyrrolidinone ring has the usual envelope conformation. The six-membered dihydro-pyrimidinone and dihydro-cyclo-hexane 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 mol-ecules into centrosymmetric dimers. Weak C-H⋯O hydrogen bonds consolidate further the crystal packing, which exhibits π-π inter-actions, with a short distance of 3.556 (3) Å between the centroids of benzene rings of neighbouring mol-ecules.

摘要

标题化合物C(23)H(18)N(2)O(6)是1-马来酰基-2-[(E)-2-(2-呋喃基)乙烯基]-4-氧代-3,4-二氢喹唑啉分子内热环加成反应的产物。该分子包含一个前所未知的稠合五环体系,其中有两个五元环(2-吡咯烷酮和呋喃)和三个六元环(苯、2,3-二氢-4-嘧啶酮和二氢环己烷)。中心的五元吡咯烷酮环具有常见的信封式构象。六元二氢嘧啶酮环和二氢环己烷环分别采用半船式和半椅式构象。末端苯环和呋喃环平面之间的二面角为45.99 (7)°。在晶体中,O-H⋯O氢键将分子连接成中心对称的二聚体。弱C-H⋯O氢键进一步巩固了晶体堆积,晶体堆积呈现π-π相互作用,相邻分子苯环质心之间的短距离为3.556 (3) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a70b/3247426/3405e5c4e7db/e-67-o3031-fig1.jpg

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验