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1,2-双-(4-氟苯基)-1-羟基-2,3,8-三甲氧基苊的晶体结构：形成一个五元分子内O-H⋯O氢键环。

Crystal structure of 1,2-bis-(4-fluoro-phen-yl)-1-hy-droxy-2,3,8-tri-meth-oxy-acenaphthene: formation of a five-membered intra-molecular O-H⋯O hydrogen-bonded ring.

作者信息

Iitsuka Hiroaki, Li Kun, Kobayashi Miyuki, Iida Kikuko, Yonezawa Noriyuki, Okamoto Akiko

机构信息

Department of Organic and Polymer Materials Chemistry, Tokyo University of Agriculture & Technology (TUAT), Koganei, Tokyo 184-8588, Japan.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 Jan 26;77(Pt 2):175-179. doi: 10.1107/S2056989021000669. eCollection 2021 Feb 1.

DOI:10.1107/S2056989021000669
PMID:33614149
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7869547/
Abstract

The structure of the title compound, CHFO, at 193 K has triclinic ( ) symmetry. The hy-droxy and meth-oxy groups at the 1,2-positions of the acenaphthene core display a configuration. Both substituents are involved in the formation of a five-membered intra-molecular O-H⋯O hydrogen-bonded ring. The 4-fluoro-phenyl rings make dihedral angles of 87.02 (7) and 51.86 (8)° with the naphthalene ring system. In the crystal, a pair of non-classical C-H⋯O hydrogen bonds forms centrosymmetric dimeric structures. The dimeric aggregates are linked in the plane through non-classical C-H⋯F hydrogen bonds and C-H⋯π interactions.

摘要

标题化合物CHFO在193 K时具有三斜晶系（ ）对称性。苊核1,2位上的羟基和甲氧基呈 构型。两个取代基都参与形成一个五元分子内O-H⋯O氢键环。4-氟苯基环与萘环系统的二面角分别为87.02 (7)°和51.86 (8)°。在晶体中，一对非经典的C-H⋯O氢键形成中心对称的二聚体结构。二聚体聚集体通过非经典的C-H⋯F氢键和C-H⋯π相互作用在 平面上相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5d7/7869547/3e31168dc12b/e-77-00175-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5d7/7869547/df06f5d05d3a/e-77-00175-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5d7/7869547/75ed8e787cca/e-77-00175-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5d7/7869547/89cfafffa8b9/e-77-00175-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5d7/7869547/3e31168dc12b/e-77-00175-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5d7/7869547/df06f5d05d3a/e-77-00175-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5d7/7869547/75ed8e787cca/e-77-00175-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5d7/7869547/89cfafffa8b9/e-77-00175-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5d7/7869547/3e31168dc12b/e-77-00175-fig4.jpg

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