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一种与环状三聚全氟苯汞形成的 1:1 黄酮共晶体。

A 1:1 flavone cocrystal with cyclic trimeric perfluoro--phenyl-enemercury.

作者信息

Novikov Egor M, Castañeda Raúl, Fonari Marina S, Timofeeva Tatiana V

机构信息

Department of Chemistry New Mexico Highlands University,Las Vegas New Mexico 87701 USA.

Institute of Applied Physics, Moldova State University, Academy str., 5 MD2028, Chisinau, Moldova.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Jun 14;80(Pt 7):717-720. doi: 10.1107/S2056989024005346. eCollection 2024 Jun 1.

Abstract

The title compound, systematic name tris-(μ-perfluoro--phenyl-ene)(μ-3-phenyl-4-chromen-4-one)--trimercury, [Hg(CF)(CHO)], crystallizes in the monoclinic 2/ space group with one flavone (FLA) and one cyclic trimeric perfluoro--phenyl-enemercury (TPPM) mol-ecule per asymmetric unit. The FLA mol-ecule is located on one face of the TPPM acceptor and is linked in an asymmetric coordination of its carbonyl oxygen atom with two Hg centers of the TPPM macrocycle. The angular-shaped complexes pack in zigzag chains where they stack two alternating TPPM-TPPM and FLA-FLA stacking patterns. The distance between the mean planes of the neighboring TPPM macrocycles in the stack is 3.445 (2) Å, and that between the benzo-γ-pyrone moieties of FLA is 3.328 (2) Å. The neighboring stacks are inter-digitated through the shortened F⋯F, CH⋯F and CH⋯π contacts, forming a dense crystal structure.

摘要

标题化合物,系统名称为三(μ-全氟对亚苯基)(μ-3-苯基-4-色原酮)-三汞,[Hg(CF)(CHO)],以单斜晶系2/空间群结晶,每个不对称单元包含一个黄酮(FLA)分子和一个环状三聚全氟对亚苯基汞(TPPM)分子。FLA分子位于TPPM受体的一个面上,并通过其羰基氧原子与TPPM大环的两个汞中心形成不对称配位。角形配合物堆积成锯齿链,其中它们以两种交替的TPPM-TPPM和FLA-FLA堆积模式堆叠。堆叠中相邻TPPM大环平均平面之间的距离为3.445(2)Å,FLA的苯并γ-吡喃酮部分之间的距离为3.328(2)Å。相邻堆叠通过缩短的F⋯F、CH⋯F和CH⋯π接触相互交错,形成致密的晶体结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7621/11223704/e58d486c7360/e-80-00717-fig1.jpg

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