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3-{2-[(3-苯基喹喔啉-2-基)氧基]乙基}-1,3-恶唑烷-2-酮

3-{2-[(3-Phenyl-quinoxalin-2-yl)-oxy]ethyl}-1,3-oxazolidin-2-one.

作者信息

Daouda Ballo, Brelot Lydia, Doumbia Mouhamadou Lamine, Essassi El Mokhtar, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1235. doi: 10.1107/S1600536811014632. Epub 2011 Apr 29.

DOI:10.1107/S1600536811014632
PMID:21754531
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089083/
Abstract

The asymmetric unit of the title compound, C(19)H(17)N(3)O(3), consists of two independent mol-ecules that are disposed about a pseudo-centre of inversion. The plane of the phenyl substituent is twisted by 38.1 (1)° [43.6 (1)° in the second mol-ecule] out of the plane of the quinoxaline ring system. The five-membered ring of the substituent at the 2-position adopts an envelope conformation; the 5-CH(2) atom representing the flap lies out of the plane defined by the other four atoms [deviation 0.264 (7) Å in the first mol-ecule and 0.291 (6) Å in the second]. The dihedral angle between the five-membered ring and the 4-phenyl ring is 84.9 (1)° while that between the five-membered ring and the 5-phenyl ring is 65.6 (1)°.

摘要

标题化合物C(19)H(17)N(3)O(3)的不对称单元由两个独立的分子组成,它们围绕一个假对称中心排列。苯基取代基的平面与喹喔啉环系统的平面扭转了38.1 (1)° [第二个分子中为43.6 (1)°]。2-位取代基的五元环呈信封构象;代表翼片的5-CH(2)原子位于由其他四个原子定义的平面之外 [第一个分子中的偏差为0.264 (7) Å,第二个分子中的偏差为0.291 (6) Å]。五元环与4-苯基环之间的二面角为84.9 (1)°,而五元环与5-苯基环之间的二面角为65.6 (1)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e4c0/3089083/aab76493ea10/e-67-o1235-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e4c0/3089083/aab76493ea10/e-67-o1235-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e4c0/3089083/aab76493ea10/e-67-o1235-fig1.jpg

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本文引用的文献

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2
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
6-Chloro-2-phenyl-3-(2-phenyl-ethyn-yl)quinoxaline.
6-氯-2-苯基-3-(2-苯基乙炔基)喹喔啉
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1741. doi: 10.1107/S1600536812020776. Epub 2012 May 16.