水溶性单乙氧基刺芒柄花素磺酸镁的合成及晶体结构研究  

Synthesis and crystal structure of water-soulable magnesium monoethoxyformononetin-3′-sulfonate

作　　者：王秋亚 WANG Qiu-ya(College of Chemistry and Materials,Weinan Normal University,Weinan 714099,China)

机构地区：[1]渭南师范学院化学与材料学院,陕西渭南714099

出　　处：《分子科学学报》2020年第4期331-336,I0005,共7页Journal of Molecular Science

基　　金：渭南师范学院校级人才项目(17ZRRC04);陕西省科技厅自然科学基础研究基金项目(2019JQ-902)。

摘　　要：以异黄酮化合物刺芒柄花素为先导化合物,合成了水溶性的单乙氧基刺芒柄花素磺酸镁,并通过红外、氢谱、碳谱、元素分析和X射线单晶衍射表征了其结构.标题化合物的分子组成为[Mg(H2O)6](C18H15O4 SO3)2·4H2O,[Mg(H2O)6]2+,C18H15O4SO3-和H2O之间存在多种氢键作用;此外,其晶体结构中还存在着分子间π…π及C—H…π芳环堆积作用.氢键、芳环堆积作用和阴、阳离子之间的静电引力共同将标题化合物组装成三维网络结构.The water-soluble derivative of formononetin, magnesium monoethoxyformononetin-3′-sulfonate was synthesized and its structure was characterized by IR, 1H NMR, 13C NMR, elemental analysis and X ray single crystal diffraction. X ray single crystal diffraction analysis shows that the molecular component of title compound is [Mg(H2O)6](C18H15O4SO3)2·4 H2O. [Mg(H2O)6]2+, C18H15O4SO3- and H2O form many kinds of hydrogen bonds. In addition, π…π and C—H…π aromatic-ring stacking interactions exist in the crystal structure of title compound, which together with many hydrogen bonds, the electrostatic interactions between anions and cations, assembled the molecules into a three-dimensional network structure.

关 键 词：刺芒柄花素 单乙氧基刺芒柄花素磺酸镁 氢键 芳环堆积作用 晶体结构 

分 类 号：O656[理学—分析化学]