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(8-羟基-6-甲氧基-1-氧代-1-异苯并呋喃-3-基)甲酸甲酯:一种超分子框架

(8-Hy-droxy-6-meth-oxy-1-oxo-1-isochromen-3-yl)methyl formate: a supra-molecular framework.

作者信息

Tiouabi Mustapha, Tabacchi Raphaël, Stoeckli-Evans Helen

机构信息

Institute of Chemistry, University of Neuchâtel, Av. de Bellevax 51, CH-2000 Neuchâtel, Switzerland.

Institute of Physics, University of Neuchâtel, rue Emile-Argand 11, CH-2000 Neuchâtel, Switzerland.

出版信息

IUCrdata. 2020 Oct 23;5(Pt 10):x201391. doi: 10.1107/S2414314620013917. eCollection 2020 Oct.

DOI:10.1107/S2414314620013917
PMID:36339028
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9462167/
Abstract

In the title compound, CHO, an intra-molecular O-H⋯O hydrogen bond forms an (6) ring motif. The mol-ecule is essentially planar with an r.m.s. deviation of 0.051 Å for all non-H atoms. In the crystal mol-ecules are linked by C-H⋯O hydrogen bonds and a C-H⋯π inter-action, forming a supra-molecular framework.

摘要

在标题化合物CHO中,分子内的O—H⋯O氢键形成了一个六元环结构单元。该分子基本呈平面状,所有非H原子的均方根偏差为0.051 Å。在晶体中,分子通过C—H⋯O氢键和C—H⋯π相互作用相连,形成一个超分子框架。