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1,4-双(咪唑-1-基)苯-对苯二甲酸(1/1)

1,4-Bis(imidazol-1-yl)benzene-terephthalic acid (1/1).

作者信息

Zhang Shiyong, Tang Yurong, Mao Zhihua, Li Mingliang, Lan Jingbo, Su Xiaoyu

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 6;65(Pt 1):o26. doi: 10.1107/S1600536808040324.

DOI:10.1107/S1600536808040324
PMID:21581669
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2967945/
Abstract

In the title compound, C(12)H(10)N(4)·C(8)H(6)O(4), 1,4-bis-(imidazol-1-yl)benzene and terephthalic acid mol-ecules are joined via strong O-H⋯N hydrogen bonds to form infinite zigzag chains. Both mol-ecules are located on crystallographic inversion centers. The O-H⋯N hydrogen-bonded chains are assembled into two-dimensional layers through weak C-H⋯O and strong π-π stacking inter-actions [centroid-centroid distance = 3.818 (2) Å], leading to the formation of a three-dimensional supra-molecular structure.

摘要

在标题化合物C₁₂H₁₀N₄·C₈H₆O₄中,1,4-双(咪唑-1-基)苯和对苯二甲酸分子通过强O-H⋯N氢键相连形成无限之字形链。两个分子均位于晶体学倒转中心上。O-H⋯N氢键链通过弱C-H⋯O相互作用和强π-π堆积相互作用[质心-质心距离 = 3.818 (2) Å]组装成二维层,从而形成三维超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63d0/2967945/7f0f87aa0654/e-65-00o26-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63d0/2967945/3109777b65dc/e-65-00o26-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63d0/2967945/626f67ded8bb/e-65-00o26-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63d0/2967945/7f0f87aa0654/e-65-00o26-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63d0/2967945/3109777b65dc/e-65-00o26-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63d0/2967945/626f67ded8bb/e-65-00o26-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63d0/2967945/7f0f87aa0654/e-65-00o26-fig3.jpg

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