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2,4,5-三（吡啶-4-基）-4,5-二氢-1,3-恶唑

2,4,5-Tris(pyridin-4-yl)-4,5-dihydro-1,3-oxazole.

作者信息

Campos-Gaxiola José J, Höpfl Herbert, Aguirre Gerardo, Parra-Hake Miguel

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1873. doi: 10.1107/S1600536812022611. Epub 2012 May 26.

DOI:10.1107/S1600536812022611
PMID:22719634
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3379436/
Abstract

In the title compound, C(18)H(14)N(4)O, the mol-ecules are disordered about a crystallographic twofold axis, leading to 50:50 disorder of the O- and N-atom sites within the oxazole ring. As a consequence, symmetry-related oxazole C-N and C-O bonds are averaged. The oxazole ring makes a dihedral angle of 6.920 (1)° with the pyridyl ring in the 2-position and 60.960 (2)° with the pyridyl rings in the 4- and 5-positions.

摘要

在标题化合物C(18)H(14)N(4)O中，分子围绕一个晶体学二重轴无序排列，导致恶唑环内O原子和N原子位置出现50:50的无序。因此，与对称相关的恶唑C-N键和C-O键被平均化。恶唑环与2位的吡啶环形成的二面角为6.920 (1)°，与4位和5位的吡啶环形成的二面角为60.960 (2)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/053c/3379436/510d43c73c84/e-68-o1873-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/053c/3379436/510d43c73c84/e-68-o1873-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/053c/3379436/510d43c73c84/e-68-o1873-fig1.jpg

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本文引用的文献

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