具有短卤素⋯氧接触的4-溴-2-氯苯基4'-甲氧-[1,1'-联苯基]-4-羧酸盐的合成和结构。

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-05-01 DOI:10.1107/S2056989025002658

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

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引用次数: 0

摘要

在标题化合物C20H14BrClO3中，4-溴-2-氯苯基的芳香环与紧邻的联苯部分和第二芳香环之间的二面角分别为80.59(2)°和75.42(2)°。联苯部分内环间的二面角为24.57(4)°。连接联苯环和4-溴-2-氯苯基的酯基团的扭转角为-166.6(2)°。扩展结构具有短卤素⋯氧接触[Cl⋯O = 2.991 (3), Br⋯O = 3.139 (2) Å]，形成平行于（101）的分子片。Hirshfeld表面分析显示，对分子间相互作用的主要贡献是C⋯H/H⋯C (32.2%), H⋯H/H⋯H (26.3%), Br⋯H/H⋯Br (10.7%), O⋯H/H⋯O（10.4%）和Cl⋯H/H⋯Cl（7.5%）接触。

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Synthesis and structure of 4-bromo-2-chlorophenyl 4′-methoxy-[1,1′-biphenyl]-4-carboxylate featuring short halogen⋯oxygen contacts

The extended structure features short halogen⋯oxygen contacts [Cl⋯O = 2.991 (3), Br⋯O = 3.139 (2) Å], forming molecular sheets lying parallel to (101).

In the title compound, C₂₀H₁₄BrClO₃, the dihedral angles between the aromatic ring of the 4-bromo-2-chlorophenyl and the immediate neighbour and second aromatic ring of the biphenyl moiety are 80.59 (2) and 75.42 (2)°, respectively. The dihedral angle between the rings within the biphenyl moiety is 24.57 (4)°. The torsion angle associated with the ester group linking the biphenyl ring and the 4-bromo-2-chlorophenyl group is −166.6 (2)°. The extended structure features short halogen⋯oxygen contacts [Cl⋯O = 2.991 (3), Br⋯O = 3.139 (2) Å], forming molecular sheets lying parallel to (101). The Hirshfeld surface analysis reveals that the major contributions to the intermolecular interactions are from C⋯H/H⋯C (32.2%), H⋯H/H⋯H (26.3%), Br⋯H/H⋯Br (10.7%), O⋯H/H⋯O (10.4%) and Cl⋯H/H⋯Cl (7.5%) 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.