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3-(4-氟苯基)-6-甲氧基-2-(4-吡啶基)喹喔啉

3-(4-Fluoro-phen-yl)-6-meth-oxy-2-(4-pyrid-yl)quinoxaline.

作者信息

Jahns Hartmut, Koch Pierre, Schollmeyer Dieter, Laufer Stefan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 20;65(Pt 7):o1626. doi: 10.1107/S1600536809022119.

Abstract

In the title compound, C(20)H(14)FN(3)O, the quinoxaline system makes dihedral angles of 32.38 (7) and 48.04 (7)° with the 4-fluoro-phenyl and pyridine rings, respectively. The 4-fluoro-phenyl ring makes a dihedral angle of 57.77 (9)° with the pyridine ring. In the crystal, the mol-ecules form dimeric C-H⋯N hydrogen-bonded R(2) (2)(20) ring motifs lying about crystallographic inversion centers. The dimeric units stack via π-π inter-actions between methoxy-phenyl rings and pyridine-fluoro-phenyl rings with centroid-centroid distances of 3.720 (1) and 3.823 (1) Å, respectively. The respective average perpendicular distances are 3.421 and 3.378 Å, with dihedral angles between the rings of 1.31 (9) and 11.64 (9)°.

摘要

在标题化合物C₂₀H₁₄FN₃O中,喹喔啉环系与4-氟苯环和吡啶环分别形成32.38 (7)°和48.04 (7)°的二面角。4-氟苯环与吡啶环形成57.77 (9)°的二面角。在晶体中,分子形成以晶体学反演中心为中心的二聚体C-H⋯N氢键连接的R₂²(20)环基序。二聚体单元通过甲氧基苯环和吡啶-氟苯环之间的π-π相互作用堆积,质心间距分别为3.720 (1) Å和3.823 (1) Å。各自的平均垂直距离为3.421 Å和3.378 Å,环之间的二面角为1.31 (9)°和11.64 (9)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/083c/2969274/d61cc0afc392/e-65-o1626-fig1.jpg

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