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26-(4-甲基苯基)-8,11,14,17-四氧杂-28-氮杂四环[22.3.1.0(2,7).0(18,23)]二十六碳-2,4,6,18(23),19,21,24(1),25,27-九烯的晶体结构

Crystal structure of 26-(4-methyl-phen-yl)-8,11,14,17-tetra-oxa-28-aza-tetra-cyclo[22.3.1.0(2,7).0(18,23)]hexa-cosa-2,4,6,18(23),19,21,24(1),25,27-nona-ene.

作者信息

Tran T Thanh Van, Anh Le Tuan, Nguyen Hung Huy, Truong Hong Hieu, Soldatenkov Anatoly T

机构信息

Faculty of Chemistry, University of Science, Vietnam National University, 19 Le Thanh Tong, Hanoi, Vietnam.

Institute of Chemistry, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Hanoi, Vietnam.

出版信息

Acta Crystallogr E Crystallogr Commun. 2016 Apr 12;72(Pt 5):663-6. doi: 10.1107/S2056989016005752. eCollection 2016 May 1.

DOI:10.1107/S2056989016005752
PMID:27308014
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4908512/
Abstract

The title compound, C30H29NO4, is a tetra-cyclic system containing a 4-aryl-pyridine fragment, two benzene rings and an aza-17-crown-5 ether moiety, in a bowl-like arrangement. The pyridine ring is inclined to the 4-methyl-phenyl ring by 26.64 (6)°, and by 57.43 (6) and 56.81 (6)° to the benzene rings. The benzene rings are inclined to one another by 88.32 (6)°. In the crystal, mol-ecules are linked by pairs of C-H⋯N hydrogen bonds, forming inversion dimers with an R 2 (2)(14) ring motif. The dimers are linked via a number of C-H⋯π inter-actions, forming a three-dimensional architecture.

摘要

标题化合物C30H29NO4是一个四环体系,包含一个4-芳基吡啶片段、两个苯环和一个氮杂-17-冠-5醚部分,呈碗状排列。吡啶环与4-甲基苯环的夹角为26.64 (6)°,与苯环的夹角分别为57.43 (6)°和56.81 (6)°。两个苯环之间的夹角为88.32 (6)°。在晶体中,分子通过成对的C-H⋯N氢键相连,形成具有R 2 (2)(14)环 motif的反演二聚体。这些二聚体通过若干C-H⋯π相互作用相连,形成三维结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6685/4908512/c60500ef8da9/e-72-00663-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6685/4908512/57ae5f795072/e-72-00663-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6685/4908512/5d52c6a0847d/e-72-00663-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6685/4908512/e97f51ce933b/e-72-00663-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6685/4908512/c60500ef8da9/e-72-00663-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6685/4908512/57ae5f795072/e-72-00663-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6685/4908512/5d52c6a0847d/e-72-00663-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6685/4908512/e97f51ce933b/e-72-00663-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6685/4908512/c60500ef8da9/e-72-00663-fig4.jpg

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