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2-氧代-2-色烯-4-基 4-乙基苯甲酸酯

2-Oxo-2-chromen-4-yl 4-ethyl-benzoate.

作者信息

Bationo Valentin, Tebily Abel Landry, Abou Akoun, Sombié Charles Bavouma, Semdé Rasmané, Djandé Abdoulaye

机构信息

Laboratory of Molecular Chemistry and Materials (LC2M), Research Team: Organic Chemistry and Phytochemistry, University Joseph KI-ZERBO, 03 BP 7021 Ouagadougou 03, Burkina Faso.

Joint Research and Innovation Unit for Engineering Sciences and Techniques (UMRI STI), Research Team: Instrumentation, Image and Spectroscopy, Félix Houphouet-Boigny National Polytechnic Institute, BP 1093 Yamoussoukro, Côte d'Ivoire.

出版信息

IUCrdata. 2025 Aug 19;10(Pt 8):x250734. doi: 10.1107/S2414314625007345. eCollection 2025 Aug.

Abstract

In the title compound, CHO, the dihedral angle between the coumarin moiety and the phenyl fragment is 63.46 (5)°. In the crystal, the mol-ecules are linked by weak C-H⋯O hydrogen bonds and aromatic π-π stacking inter-actions. A short C=O⋯π [O⋯π = 3.2667 (10) Å] contact is also observed.

摘要

在标题化合物CHO中,香豆素部分与苯基片段之间的二面角为63.46 (5)°。在晶体中,分子通过弱C-H⋯O氢键和芳香π-π堆积相互作用相连。还观察到一个短的C=O⋯π [O⋯π = 3.2667 (10) Å]接触。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6309/12412682/d008f4f06854/x-10-x250734-fig1.jpg

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