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苯-1,3-二羧酸-1,2-双-(4-吡啶基)乙烯(1/1)

Benzene-1,3-dicarb-oxy-lic acid-1,2-bis-(4-pyrid-yl)ethene (1/1).

作者信息

Liu Dong, Li Ni-Ya

机构信息

College of Chemistry and Materials Science, Huaibei Normal University, Huaibei 235000, Anhui, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3039. doi: 10.1107/S1600536811043418. Epub 2011 Oct 29.

Abstract

In the title compound, C(12)H(10)N(2)·C(8)H(6)O(4), the asymmetric unit contains two halves of 1,2-bis-(4-pyrid-yl)ethene (bpe) mol-ecules and one benzene-1,3-dicarb-oxy-lic acid (1,3-H(2)BDC) mol-ecule. These bpe and 1,3-H(2)BDC mol-ecules are linked by classical O-H⋯N hydrogen bonds, forming an extended one-dimensional zigzag chain. Each chain is further linked with neighboring ones by π-π inter-actions between the pyridine and aromatic rings [centroid-centroid distances = 3.9306 (15) Å] and the pyridine rings of pairs of symmetry-related mol-ecules [centroid-centroid distances = 3.5751 (15), 3.7350 (15) and 3.6882 (15) Å], with the formation of a three-dimensional supra-molecular framework.

摘要

在标题化合物C₁₂H₁₀N₂·C₈H₆O₄中,不对称单元包含两个1,2-双(4-吡啶基)乙烯(bpe)分子的一半和一个苯-1,3-二羧酸(1,3-H₂BDC)分子。这些bpe和1,3-H₂BDC分子通过经典的O-H⋯N氢键相连,形成一条延伸的一维锯齿链。每条链通过吡啶环与芳环之间的π-π相互作用[质心-质心距离 = 3.9306 (15) Å]以及对称相关分子对的吡啶环之间的π-π相互作用[质心-质心距离 = 3.5751 (15)、3.7350 (15)和3.6882 (15) Å]进一步与相邻链相连,形成三维超分子框架。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1bf0/3247433/e7c12a5a4abd/e-67-o3039-fig1.jpg

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