2-氧- 2h -铬-4-基4-溴苯甲酸酯的合成和结构：作为CNRS AFRAMED项目的一部分进行的工作。

IF 0.6 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-03-01 DOI:10.1107/S2056989025000246

Valentin Bationo , Konan René Kambo , Brahima Sorgho , Charles Bavouma Sombié , El Walda Thiam , Rasmané Semdé , Abdoulaye Djandé , Claude Lecomte , Emmanuel Wenger

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引用次数: 0

摘要

在标题化合物C16H9BrO4中，铬-2-一环体系与溴苯环之间的二面角（均方根偏差= 0.006 Å）为10.29(6)°。在晶体中，分子通过C-H⋯O氢键和π-π堆叠相互作用连接。根据Hirshfeld表面分析，H⋯H (22.4%), O⋯H/H⋯O（23.6%）和C⋯H/H⋯C（21%）相互作用是晶体堆积的最重要贡献者。

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Synthesis and structure of 2-oxo-2H-chromen-4-yl 4-bromobenzoate: work carried out as part of the CNRS AFRAMED project

In the title compound, the dihedral angle between the chromen-2-one ring system and the bromobenzene ring is 10.29 (6)°. In the crystal, the molecules are connected through C—H⋯O hydrogen bonds and π–π stacking interactions.

In the title compound, C₁₆H₉BrO₄, the dihedral angle between the chromen-2-one ring system (r.m.s. deviation = 0.006 Å) and the bromobenzene ring is 10.29 (6)°. In the crystal, the molecules are connected through C—H⋯O hydrogen bonds and π–π stacking interactions. According to a Hirshfeld surface analysis, H⋯H (22.4%), O⋯H/H⋯O (23.6%) and C⋯H/H⋯C (21%) interactions are the most significant contributors to the crystal packing.

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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.