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2-[4-(2-羟基-2-丙基)-1H-1,2,3-三唑-1-基]苯酚

2-[4-(2-Hy-droxy-propan-2-yl)-1H-1,2,3-triazol-1-yl]phenol.

作者信息

Zhang Li-Li, Yu Kai, Liu Ling-Ling, Guo Dian-Shun

机构信息

Department of Chemistry, Shandong Normal University, Jinan 250014, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1262. doi: 10.1107/S1600536812012925. Epub 2012 Mar 31.

DOI:10.1107/S1600536812012925
PMID:22606191
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344188/
Abstract

In the title compound, C(11)H(13)N(3)O(2), the 1,2,3-triazole ring and the phenol ring form a dihedral angle of 55.46 (5)°. In the crystal, inversion-related mol-ecules associate through pairs of hy-droxy-phenol O-H⋯O hydrogen bonds, giving centrosymmetric cyclic dimers [graph set R(2) (2)(18)]. These dimers are linked into infinite chains along [001], giving an overall two-dimensional network structure parallel to the bc plane through hy-droxy O-H⋯N and triazole C-H⋯N hydrogen bonds.

摘要

在标题化合物C₁₁H₁₃N₃O₂中，1,2,3 - 三唑环与苯酚环形成的二面角为55.46 (5)°。在晶体中，通过羟基 - 苯酚O - H⋯O氢键对，与反演相关的分子缔合，形成中心对称的环状二聚体[图集R₂²(18)]。这些二聚体沿[001]方向连接成无限链，通过羟基O - H⋯N和三唑C - H⋯N氢键形成与bc平面平行的整体二维网络结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0a5/3344188/01166ac02330/e-68-o1262-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0a5/3344188/f05e52cadde4/e-68-o1262-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0a5/3344188/c4d8c8da561a/e-68-o1262-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0a5/3344188/01166ac02330/e-68-o1262-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0a5/3344188/f05e52cadde4/e-68-o1262-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0a5/3344188/c4d8c8da561a/e-68-o1262-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0a5/3344188/01166ac02330/e-68-o1262-fig3.jpg

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本文引用的文献

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一种多组分 CuAAC“点击”方法合成混合多齿 2-吡啶基-1,2,3-三唑配体库：用于生成金属超分子结构的新构建块。
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Design, synthesis, and structure-activity relationship of pyridyl imidazolidinones: a novel class of potent and selective human enterovirus 71 inhibitors.吡啶基咪唑烷酮类化合物的设计、合成及其构效关系：一类新型强效且选择性的人肠道病毒71型抑制剂
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