2-氧代-2-色烯-4-基 4-溴苯甲酸酯的合成与结构：作为法国国家科学研究中心AFRAMED项目的一部分开展的工作。
Synthesis and structure of 2-oxo-2-chromen-4-yl 4-bromo-benzoate: work carried out as part of the CNRS AFRAMED project.
作者信息
Bationo Valentin, Kambo Konan René, Sorgho Brahima, Sombié Charles Bavouma, Thiam El Walda, Semdé Rasmané, Djandé Abdoulaye, Lecomte Claude, Wenger Emmanuel
机构信息
Laboratory of Molecular Chemistry and Materials (LC2M), University Joseph KI-ZERBO, 03 BP 7021 Ouagadougou 03, Burkina Faso.
Laboratory of Environmental Science and Technology University Jean Lorougnon GUEDE of Daloa BP 150 Daloa Côte d'Ivoire.
出版信息
Acta Crystallogr E Crystallogr Commun. 2025 Feb 7;81(Pt 3):200-203. doi: 10.1107/S2056989025000246. eCollection 2025 Mar 1.
In the title compound, CHBrO, the dihedral angle between the chromen-2-one ring system (r.m.s. deviation = 0.006 Å) and the bromo-benzene ring is 10.29 (6)°. In the crystal, the mol-ecules are connected through C-H⋯O hydrogen bonds and π-π stacking inter-actions. According to a Hirshfeld surface analysis, H⋯H (22.4%), O⋯H/H⋯O (23.6%) and C⋯H/H⋯C (21%) inter-actions are the most significant contributors to the crystal packing.
在标题化合物CHBrO中，色烯-2-酮环系（均方根偏差 = 0.006 Å）与溴苯环之间的二面角为10.29 (6)°。在晶体中，分子通过C—H⋯O氢键和π–π堆积相互作用相连。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因素。
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