Egor M. Novikov , Raúl Castañeda , Marina S. Fonari , Tatiana V. Timofeeva , G. Diaz de Delgado (Editor)
{"title":"与环状三聚全氟邻苯基汞的 1:1 黄酮共晶体","authors":"Egor M. Novikov , Raúl Castañeda , Marina S. Fonari , Tatiana V. Timofeeva , G. Diaz de Delgado (Editor)","doi":"10.1107/S2056989024005346","DOIUrl":null,"url":null,"abstract":"<div><p>In the title compound, molecules are connected by Hg⋯O interactions. The 1:1 complexes pack in zigzag chains where they stack <em>via</em> two alternating stacking patterns, TPPM(cyclic trimeric perfluoro-<em>o</em>-phenylenemercury)–TPPM, and FLA(flavone)–FLA. The shortened F⋯F, CH⋯F and CH⋯π contacts consolidate the crystal structure.</p></div><div><p>The title compound, systematic name tris(μ<sub>2</sub>-perfluoro-<em>o</em>-phenylene)(μ<sub>2</sub>-3-phenyl-4<em>H</em>-chromen-4-one)-<em>triangulo</em>-trimercury, [Hg<sub>3</sub>(C<sub>6</sub>F<sub>4</sub>)<sub>3</sub>(C<sub>15</sub>H<sub>10</sub>O<sub>2</sub>)], crystallizes in the monoclinic <em>P</em>2<sub>1</sub>/<em>n</em> space group with one flavone (FLA) and one cyclic trimeric perfluoro-<em>o</em>-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 <em>via</em> 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.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 7","pages":"Pages 717-720"},"PeriodicalIF":0.5000,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A 1:1 flavone cocrystal with cyclic trimeric perfluoro-o-phenylenemercury\",\"authors\":\"Egor M. Novikov , Raúl Castañeda , Marina S. Fonari , Tatiana V. Timofeeva , G. Diaz de Delgado (Editor)\",\"doi\":\"10.1107/S2056989024005346\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In the title compound, molecules are connected by Hg⋯O interactions. The 1:1 complexes pack in zigzag chains where they stack <em>via</em> two alternating stacking patterns, TPPM(cyclic trimeric perfluoro-<em>o</em>-phenylenemercury)–TPPM, and FLA(flavone)–FLA. The shortened F⋯F, CH⋯F and CH⋯π contacts consolidate the crystal structure.</p></div><div><p>The title compound, systematic name tris(μ<sub>2</sub>-perfluoro-<em>o</em>-phenylene)(μ<sub>2</sub>-3-phenyl-4<em>H</em>-chromen-4-one)-<em>triangulo</em>-trimercury, [Hg<sub>3</sub>(C<sub>6</sub>F<sub>4</sub>)<sub>3</sub>(C<sub>15</sub>H<sub>10</sub>O<sub>2</sub>)], crystallizes in the monoclinic <em>P</em>2<sub>1</sub>/<em>n</em> space group with one flavone (FLA) and one cyclic trimeric perfluoro-<em>o</em>-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 <em>via</em> 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.</p></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 7\",\"pages\":\"Pages 717-720\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2056989024001415\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989024001415","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
A 1:1 flavone cocrystal with cyclic trimeric perfluoro-o-phenylenemercury
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.
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.