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6,7,8,9,10,11-六氢-13H-氮杂环辛并[2,1-b]喹唑啉-13-酮

6,7,8,9,10,11-Hexahydro-13H-azocino[2,1-b]quinazolin-13-one.

作者信息

Okmanov Rasul Ya, Samarov Zafir U, Turgunov Kambarali K, Tashkhodjaev Bakhodir, Shakhidoyatov Khusniddin M

机构信息

S. Yunusov Institute of the Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek Str. 77, Tashkent 100170, Uzbekistan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 4;65(Pt 8):o1776. doi: 10.1107/S160053680902460X.

Abstract

The title compound, C(14)H(16)N(2)O, is a synthetic analogue of quinazolone alkaloids with pyrrilo, pyrido and azopino rings. The quinazolinic part of the mol-ecule is generally planar within 0.037 (3) Å; the eight-membered ring exhibits an inter-mediate conformation between the chair and boat forms as it is typical for cyclo-octene rings. An ethyl-ene group of the azopino ring is disordered over two positions with a refined occupancy ratio of 0.910 (7):0.090 (7). In the crystal, the H atoms of the aromatic rings form weak C-H⋯O and C-H⋯N hydrogen bonds. One C-H⋯O hydrogen bond leads to the formation of a one-dimensional chain. Another C-H⋯O and a C-H⋯N bond link these chains, generating a three-dimensional network.

摘要

标题化合物C(14)H(16)N(2)O是一种具有吡咯环、吡啶环和氮杂茚环的喹唑啉生物碱的合成类似物。分子中的喹唑啉部分通常在0.037 (3) Å范围内呈平面状;八元环呈现出介于椅式和船式构象之间的中间构象,这是环辛烯环的典型特征。氮杂茚环的一个乙烯基在两个位置上无序,精修占有率比为0.910 (7):0.090 (7)。在晶体中,芳香环的H原子形成弱的C-H⋯O和C-H⋯N氢键。一个C-H⋯O氢键导致形成一维链。另一个C-H⋯O和一个C-H⋯N键连接这些链,形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd79/2977403/9bea58920c12/e-65-o1776-fig1.jpg

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