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。

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-09-01 DOI:10.1107/S2056989024008570

M. Harish Kumar , M. Vinduvahini , H. C. Devarajegowda , H. T. Srinivasa , B. S. Palakshamurthy

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引用次数: 0

摘要

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。

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

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.

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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.