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3-[2-(3-甲基-2-氧代-1,2-二氢喹喔啉-1-基)乙基]恶唑烷-2-酮

3-[2-(3-Methyl-2-oxo-1,2-dihydro-quinoxalin-1-yl)eth-yl]oxazolidin-2-one.

作者信息

Caleb Ahoya Anothane, Bouhfid Rachid, Essassi El Mokhtar, El Ammari Lahcen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 29;65(Pt 8):o2024-5. doi: 10.1107/S1600536809028736.

DOI:10.1107/S1600536809028736
PMID:21583693
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977093/
Abstract

The title heterocyclic compound, C(14)H(15)N(3)O(3), is a new synthetic mol-ecule containing oxazolidine and quinoxaline rings. It is built up from two fused six-membered rings linked to a five-membered oxazolidin-2-one ring by a C(2) chain. Both ring systems are essentially planar [maximum deviation = 0.894 (3) Å, r.m.s. deviation = 0.0043 Å]. The structure is held together by van der Waals forces [electrostatic interactions between dipoles, O⋯C = 3.002 (2) Å] between mol-ecules and by weak π-π stacking between symmetry-related mol-ecules, with an inter-planar distance of 3.579 Å and a centroid-centroid distance of 3.800 (1) Å. Inter-molecular C-H⋯O hydrogen bonds are also observed in the crystal structure.

摘要

标题杂环化合物C(14)H(15)N(3)O(3)是一种含有恶唑烷和喹喔啉环的新型合成分子。它由两个稠合的六元环通过一个C(2)链连接到一个五元恶唑烷-2-酮环上构成。两个环系基本呈平面状[最大偏差 = 0.894 (3) Å,均方根偏差 = 0.0043 Å]。该结构通过分子间的范德华力[偶极间的静电相互作用,O⋯C = 3.002 (2) Å]以及对称相关分子间的弱π-π堆积作用维系在一起,其面间距为3.579 Å,质心间距为3.800 (1) Å。在晶体结构中还观察到分子间的C-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0592/2977093/f90e035ac3cf/e-65-o2024-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0592/2977093/1a2ca4174869/e-65-o2024-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0592/2977093/ec27c5157323/e-65-o2024-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0592/2977093/f90e035ac3cf/e-65-o2024-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0592/2977093/1a2ca4174869/e-65-o2024-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0592/2977093/ec27c5157323/e-65-o2024-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0592/2977093/f90e035ac3cf/e-65-o2024-fig3.jpg

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