（3a,31,4,5,6,6a,7,9a）-3a1,5,6,6a-四氢-1,3,4,7-3a,6:7,9a-二环氧苯并[]异苯并呋喃-4,5-二羧酸二乙酯的晶体结构和 Hirshfeld 表面分析
Crystal structure and Hirshfeld surface analysis of dieth-yl (3a,31,4,5,6,6a,7,9a)-3a1,5,6,6a-tetra-hydro-1,3,4,7-3a,6:7,9a-di-epoxy-benzo[]isochromene-4,5-di-carboxyl-ate.
作者信息
Sadikhova Nurlana D, Atioğlu Zeliha, Guliyeva Narmina A, Podrezova Alexandra G, Nikitina Eugeniya V, Akkurt Mehmet, Bhattarai Ajaya
机构信息
Organic Chemistry Department, Baku State University, Az 1148 Baku, Azerbaijan.
Department of Aircraft Electrics and Electronics, School of Applied Sciences, Cappadocia University, Mustafapaşa, 50420 Ürgüp, Nevşehir, Türkiye.
出版信息
Acta Crystallogr E Crystallogr Commun. 2024 Jan 1;80(Pt 1):83-87. doi: 10.1107/S2056989023010794.
In the title compound, CHO, two hexane rings and an oxane ring are fused together. The two hexane rings tend toward a distorted boat conformation, while the tetra-hydro-furan and di-hydro-furan rings adopt envelope conformations. The oxane ring is puckered. The crystal structure features C-H⋯O hydrogen bonds, which link the mol-ecules into a three-dimensional network. According to a Hirshfeld surface study, H⋯H (60.3%) and O⋯H/H⋯O (35.3%) inter-actions are the most significant contributors to the crystal packing.
在标题化合物CHO中，两个己烷环和一个氧杂环己烷环稠合在一起。两个己烷环倾向于扭曲的船式构象，而四氢呋喃环和二氢呋喃环采取信封式构象。氧杂环己烷环呈褶皱状。晶体结构具有C—H⋯O氢键，这些氢键将分子连接成三维网络。根据 Hirshfeld 表面研究，H⋯H（60.3%）和O⋯H/H⋯O（35.3%）相互作用是晶体堆积的最重要贡献因素。
Zotero 插件