Synthesis and crystal structure of (2E)-1-[3,5-bis(benzyloxy)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-09-01 DOI:10.1107/S2056989024007552

K. R. Jeyashri , G. Logeshwari , U. Rajapandiyan , K. Sivakumar , S. Selvanayagam , H. Manikandan , K. Kaviyarasu

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引用次数: 0

Abstract

In the title compound, the phenyl rings of the chalcone unit subtend a dihedral angle of 26.43 (10)°. The phenyl rings of the pendant benzyloxy groups are orientated at 75.57 (13) and 75.70 (10)° with respect to their attached ring. In the crystal, weak C—H⋯O and C—H⋯π interactions link the molecules, forming C(15) chains propagating along [101].

In the title compound, C₃₁H₂₈O₄, the phenyl rings of the chalcone unit subtend a dihedral angle of 26.43 (10)°. The phenyl rings of the pendant benzyloxy groups are orientated at 75.57 (13) and 75.70 (10)° with respect to their attached ring. In the crystal, weak C—H⋯O and C—H⋯π interactions link the molecules. The intermolecular interactions were quantified and analysed using Hirshfeld surface analysis, which showed a breakdown into H⋯H (49.8%), H⋯C/C⋯H (33.8%) and H⋯O/O⋯H (13.6%) interactions with other types making negligible contributions.

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(2E)-1-[3,5-双(苄氧基)苯基]-3-(4-乙氧基苯基)丙-2-烯-1-酮的合成及晶体结构

在标题化合物中，查尔酮单元的苯基环的二面角为 26.43 (10)°。悬垂苄氧基的苯基环与其相连的环分别成 75.57 (13) 和 75.70 (10)° 方向。在晶体中，微弱的 C-H⋯O 和 C-H⋯π 相互作用将分子连接起来，形成沿 [101] 传播的 C(15) 链。在标题化合物 C31H28O4 中，查尔酮单元的苯基环的二面角为 26.43 (10)°。悬垂苄氧基基团的苯基环与其相连的环分别成 75.57 (13) 和 75.70 (10)° 方向。在晶体中，分子之间存在微弱的 C-H⋯O 和 C-H⋯π 相互作用。利用 Hirshfeld 表面分析法对分子间的相互作用进行了量化和分析，结果显示，这些相互作用分为 H⋯H （49.8%）、H⋯C/C⋯H （33.8%）和 H⋯O/O⋯H （13.6%）三种类型，其他类型的相互作用微乎其微。

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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.

Synthesis and crystal structure of (2E)-1-[3,5-bis­(benz­yloxy)phen­yl]-3-(4-eth­oxy­phen­yl)prop-2-en-1-one

Abstract

Synthesis and crystal structure of (2E)-1-[3,5-bis(benzyloxy)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one