2-oxo-2H-chromen-4-yl penta-noate 的合成、结构和 Hirshfeld 表面分析。

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-06-01 DOI:10.1107/S205698902400584X

Valentin Bationo , Konan René Kambo , Charles Bavouma Sombié , Rasmané Semdé , Pierre Francotte , Abdoulaye Djandé , Y. Ozawa (Editor)

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引用次数: 0

摘要

在标题化合物 C14H14O4 中，香豆素环系统（r.m.s 偏差 = 0.016 Å）与五壬酸环之间的二面角为 36.26 (8)°。分子内的 C-H⋯O 短接触为 2.40 Å。Hirshfeld 表面分析表明，46.1% 的分子间相互作用来自 H⋯H 接触，28.6% 来自 H⋯O/O⋯H 接触，14.7% 来自 H⋯C/C⋯H 接触。

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Synthesis, structure and Hirshfeld surface analysis of 2-oxo-2H-chromen-4-yl pentanoate

In the title compound, the dihedral angle between the coumarin ring system and the pentanoate ring is 36.26 (8)°. A short intramolecular C—H⋯O contact is observed.

In the title compound, C₁₄H₁₄O₄, the dihedral angle between the coumarin ring system (r.m.s deviation = 0.016 Å) and the pentanoate ring is 36.26 (8)°. A short intramolecular C—H⋯O contact of 2.40 Å is observed. Hirshfeld surface analysis reveals that 46.1% of the intermolecular interactions are from H⋯H contacts, 28.6% are from H⋯O/O⋯H contacts and 14.7% are from H⋯C/C⋯H.

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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.