2-[(2-氧代-2-色烯-6-基)氧基]乙酸乙酯
Ethyl 2-[(2-oxo-2-chromen-6-yl)-oxy]acetate.
作者信息
Goyal Navneet, Donahue James P, Thompson Anthony, Zhang Xiaodong, Mague Joel T, Foroozesh Maryam
机构信息
Department of Chemistry, Xavier University of Louisiana, 1 Drexel Dr., New Orleans, Louisiana 70125, USA.
Department of Chemistry, Tulane University, 6400 Freret Street, New Orleans, Louisiana 70118-5698, USA.
出版信息
Acta Crystallogr E Crystallogr Commun. 2024 May 31;80(Pt 6):659-662. doi: 10.1107/S2056989024004729. eCollection 2024 May 1.
Ethyl 2-[(2-oxo-2-chromen-6-yl)-oxy]acetate, CHO, a member of the pharmacologically important class of coumarins, crystallizes in the monoclinic 2/ space group in the form of sheets, within which mol-ecules are related by inversion centers and 2 axes. Multiple C-H⋯O weak hydrogen-bonding inter-actions reinforce this pattern. The planes of these sheets are oriented in the approximate direction of the face diagonal. Inter-sheet inter-actions are a combination of coumarin system π-π stacking and additional C-H⋯O weak hydrogen bonds between ethyl acet-oxy groups.
2-[(2-氧代-2-色烯-6-基)氧基]乙酸乙酯（CHO），属于药理上重要的香豆素类，以片状形式在单斜晶系P21/c空间群中结晶，片层内分子通过对称中心和2次轴相关联。多个C-H⋯O弱氢键相互作用强化了这种结构模式。这些片层的平面大致沿面对角线方向排列。片层间相互作用是香豆素体系π-π堆积与乙酸乙酯基团之间额外的C-H⋯O弱氢键的组合。
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