Synthesis, crystal structure and Hirshfeld surface analysis of 4′-cyano-[1,1′-biphen­yl]-4-yl 3-(benz­yloxy)benzoate

IF 0.5 Q4 CRYSTALLOGRAPHY
M. Harish Kumar , M. Vinduvahini , H. C. Devarajegowda , H. T. Srinivasa , B. S. Palakshamurthy
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引用次数: 0

Abstract

The mol­ecules of the title compound are linked by weak C—H⋯O and C—H⋯π inter­actions.
In the title compound, C27H19O3N, the dihedral angle between the aromatic rings of the biphenyl unit is 38.14 (2)° and the C—O—C—C torsion angle in the benz­yloxy benzene fragment is 179.1 (2)°. In the crystal, the mol­ecules are linked by weak C—H⋯O inter­actions forming S(9) chains propagating along [010]. The most important contributions to the Hirshfeld surface arise from H⋯H (32.4%) and C⋯H/H⋯C (37.0%) contacts.
4'-氰基-[1,1'-联苯基]-4-基 3-(苯氧基)苯甲酸酯的合成、晶体结构和 Hirshfeld 表面分析。
在标题化合物 C27H19O3N 中,联苯单元芳环之间的二面角为 38.14 (2)°,苯氧基苯片段的 C-O-C-C 扭转角为 179.1 (2)°。在晶体中,分子单元通过微弱的 C-H⋯O 相互作用连接起来,形成沿 [010] 传播的 S(9) 链。H ⋯H(32.4%)和 C ⋯H/H⋯C(37.0%)接触对 Hirshfeld 表面的贡献最大。
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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