A 1:1 flavone cocrystal with cyclic trimeric perfluoro-o-phenyl­enemercury

Egor M. Novikov , Raúl Castañeda , Marina S. Fonari , Tatiana V. Timofeeva , G. Diaz de Delgado (Editor)
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引用次数: 0

Abstract

In the title compound, mol­ecules are connected by Hg⋯O inter­actions. The 1:1 complexes pack in zigzag chains where they stack via two alternating stacking patterns, TPPM(cyclic trimeric perfluoro-o-phenyl­enemercury)–TPPM, and FLA(flavone)–FLA. The shortened F⋯F, CH⋯F and CH⋯π contacts consolidate the crystal structure.

The title compound, systematic name tris­(μ2-perfluoro-o-phenyl­ene)(μ2-3-phenyl-4H-chromen-4-one)-triangulo-trimercury, [Hg3(C6F4)3(C15H10O2)], crystallizes in the monoclinic P21/n space group with one flavone (FLA) and one cyclic trimeric perfluoro-o-phenyl­enemercury (TPPM) mol­ecule per asymmetric unit. The FLA mol­ecule 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 via 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 inter­digitated through the shortened F⋯F, CH⋯F and CH⋯π contacts, forming a dense crystal structure.

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与环状三聚全氟邻苯基汞的 1:1 黄酮共晶体
标题化合物的系统名称为三(μ2-全氟邻苯)(μ2-3-苯基-4H-色烯-4-酮)-三甘露三汞[Hg3(C6F4)3(C15H10O2)],在单斜 P21/n 空间群中结晶,每个不对称单元含有一个黄酮(FLA)分子和一个环状三聚全氟邻苯三汞(TPPM)分子。FLA 分子位于 TPPM 受体的一个面上,其羰基氧原子与 TPPM 大环的两个汞中心不对称配位连接。角状复合物形成人字形链,通过 TPPM-TPPM 和 FLA-FLA 两种交替堆叠模式进行堆叠。堆栈中相邻 TPPM 大环的平均平面间距为 3.445 (2) Å,FLA 的苯γ-吡喃酮分子间距为 3.328 (2) Å。通过缩短的 F...F、CH...F 和 CH...π 接触,相邻堆栈相互咬合,形成致密的晶体结构。
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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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