2-[2-(4-氧代-4-色烯-2-基)苯氧基]乙酸乙酯
Ethyl 2-[2-(4-oxo-4-chromen-2-yl)phenoxy]acetate.
作者信息
Goyal Navneet, Do Camilla, Donahue James P, 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
IUCrdata. 2018 Jul;3(7). doi: 10.1107/S2414314618009938.
Abstract
In the title flavonoid derivative, CHO, the chromene portion is planar (r.m.s. deviation = 0.022 Å) with the substituents lying closely to the same plane. The dihedral angle between its mean plane and that of the benzene ring is 4.9 (1)°. This planarity is due, in part, to the presence of a strong intramolecular C-H⋯O hydrogen bond and to two weak C-H⋯O contacts. In the crystal, neighboring molecules are linked by a C-H⋯O hydrogen bond and a C-H⋯ interaction, forming chains along the -axis direction.
摘要
在标题类黄酮衍生物CHO中，色烯部分是平面的（均方根偏差 = 0.022 Å），取代基紧密位于同一平面上。其平均平面与苯环平面之间的二面角为4.9 (1)°。这种平面性部分归因于存在强分子内C-H⋯O氢键和两个弱C-H⋯O接触。在晶体中，相邻分子通过C-H⋯O氢键和C-H⋯相互作用相连，沿轴方向形成链。
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