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1,5-二氯-3(2,7),7(2,7)-二萘并-2,4,6,8-四氧杂-1(2,6),5(2,6)-二(1,3,5-三嗪)八环烷

1,5-Dichloro-3(2,7),7(2,7)-dinaphthal-ena-2,4,6,8-tetra-oxa-1(2,6),5(2,6)-di(1,3,5-triazina)octa-phane.

作者信息

Sang Qiu-Guang, Yang Jing-Kui

机构信息

College of Chemistry and Chemical Engineering, Graduate University of the Chinese Academy of Sciences, Beijing 100049, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2525. doi: 10.1107/S160053681103460X. Epub 2011 Aug 31.

DOI:10.1107/S160053681103460X
PMID:22065129
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3200940/
Abstract

In the macrocyclic title compound, C(26)H(12)Cl(2)N(6)O(4), an O-atom-bridged calix[2]naphthalene-[2]triazine synthesized using a one-pot approach from naphthalene-2,7-diol and cyanuric chloride, the two isolated naphthalene planes and the two triazine-2,6-di-oxy planes adopt a 1,3-alternate configuration, with a dihedral angle of 84.10 (8)° between the naphthalene rings and a dihedral angle of 39.02 (14)° between the triazine rings. In the crystal, weak inter-molecular π-π stacking inter-actions are found between face-to-face naphthalene rings [centroid-centroid distance = 3.662 (7) Å].

摘要

在大环标题化合物C(26)H(12)Cl(2)N(6)O(4)中，它是一种通过萘-2,7-二醇和三聚氯氰采用一锅法合成的氧原子桥连杯[2]萘并[2]三嗪，两个孤立的萘平面和两个三嗪-2,6-二氧平面采用1,3-交替构型，萘环之间的二面角为84.10 (8)°，三嗪环之间的二面角为39.02 (14)°。在晶体中，面对面的萘环之间存在弱的分子间π-π堆积相互作用[质心-质心距离 = 3.662 (7) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16c4/3200940/c1712ef655e1/e-67-o2525-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16c4/3200940/35054c42de8d/e-67-o2525-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16c4/3200940/c1712ef655e1/e-67-o2525-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16c4/3200940/35054c42de8d/e-67-o2525-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16c4/3200940/c1712ef655e1/e-67-o2525-fig2.jpg

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