1,3,3,4,4,5,5-庚-氟-2-（3-[（2,3,3,4,4,5,5-庚-氟-戊-1-基）-氧]-2-{（2,3,3,4,4,5,5-庚-氟-戊-1-基）-氧]甲基}-2-甲基-丙氧）环戊烯的晶体结构和Hirshfeld表面分析。

IF 0.5 Q4 CRYSTALLOGRAPHY Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-01 DOI:10.1107/S2056989024011484

Andrew J. Peloquin , Gary J. Balaich , Abby R. Jennings

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引用次数: 0

摘要

在标题化合物C20H9F21O3中，中心sp - 3杂化碳原子被三个七氟-2-甲基-氧基（环-戊-1-烯）臂和一个甲基修饰。主填料由C-F⋯F-C相互作用决定，形成[001]链，这些链通过较弱的C-F⋯F-C和C-H⋯F-C接触而固结。进行了赫希菲尔德表面分析以帮助可视化这些对填料的各种影响：这表明，对表面接触的最大贡献来自F⋯F相互作用（53.5%），其次是F⋯H/H⋯F（34.5%）和F⋯C/C⋯F（7.1%）。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene

In the title compound, a central sp³-hybridized carbon atom is decorated with three heptafluoro-2-methyloxy(cyclopent-1-ene) arms and a methyl group. The primary packing is determined by C—F⋯F—C interactions, forming [001] chains, which are consolidated via weaker C—F⋯F—C and C—H⋯F—C contacts.

In the title compound, C₂₀H₉F₂₁O₃, a central sp³-hybridized carbon atom is decorated with three heptafluoro-2-methyloxy(cyclopent-1-ene) arms and a methyl group. The primary packing is determined by C—F⋯F—C interactions, forming [001] chains, which are consolidated via weaker C—F⋯F—C and C—H⋯F—C contacts. A Hirshfeld surface analysis was conducted to aid in the visualization of these various influences on the packing: this revealed that the largest contribution to the surface contacts arises from F⋯F interactions (53.5%), followed by F⋯H/H⋯F (34.5%) and F⋯C/C⋯F (7.1%).

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

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.