Synthesis and structure of 4-[(2,3,4,5,6-pentafluoro­phen­oxy)carbon­yl]phenyl 4-(tetra­dec­yloxy)benzoate

IF 0.5 Q4 CRYSTALLOGRAPHY
Khaleel Ahmed, H. C. Devarajegowda, B. Bommalingaiah, G. N. Venkatareddy, H. T. Srinivasa, B. S. Palakshamurthy
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引用次数: 0

Abstract

In the title mol­ecule, C34H37F5O5, the dihedral angles between the central carbonyl­phenyl and adjacent perfluoro­phen­oxy and (tetra­dec­yloxy)benzoate rings are 74.19 (2) and 67.86 (2)°, respectively and the tetra­decyl chain adopts an extended conformation. In the crystal, the mol­ecules are linked by C—H⋯O and C—H⋯F hydrogen bonds, forming C(7) and C(10) chains, respectively, both running infinitely along [010]. The Hirshfeld surface analysis reveals that the major contributions to the two dimensional fingerprint plots are from H⋯H (49.4%), F⋯H/H⋯F (16.7%) and O⋯H/H⋯O (9.0%) contacts. An inter­molecular inter­action energy calculation shows that dispersion energy contributes the most to the consolidation of the structure.
4-[(2,3,4,5,6-五氟-苯氧基)碳基]苯基4-(四癸氧基)苯甲酸酯的合成与结构。
在标题分子C34H37F5O5中,中心羰基苯基与相邻的全氟苯氧环和(四癸氧基)苯甲酸酯环之间的二面角分别为74.19(2)°和67.86(2)°,四癸基链呈延伸构象。在晶体中,分子由C- h⋯O和C- h⋯F氢键连接,分别形成C(7)和C(10)链,两者都沿着[010]无限延伸。Hirshfeld表面分析显示,二维指纹图谱的主要贡献来自H⋯H(49.4%)、F⋯H/H⋯F(16.7%)和O⋯H/H⋯O(9.0%)接触。分子间相互作用能计算表明,色散能对结构的固结贡献最大。
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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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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