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双-(取代)硼酸-2-(取代)-8-羟基喹啉酯的结构研究
Structure Studies of Bis(substituted)-2-(substituted)-8-hydroxyqui-nolines
【摘要】 <正> 有机硼化合物是元素有机化合物的一个重要类别,早在1940年 Kruger 就提出在蛋白质中引入一定浓度的硼来作为医学上的一种疗法。六十年代以来化学家们合成了许多含硼的
【Abstract】 The crystal and molecular structures of bis(P-methoxyphenyl)-2-methyl-8-’hydroxyquinoline borolactone(1)and bis (p-methoxyphenyl)-8-hydroxyquinoline borolactone(2)have been determined by X-ray diffraction method.X-ray diffraction data were collected ona CAD4 single crystal diffractometer.The crystallographic data are as follows:(1)C24H22-BNO3,orthorhombic,space group Pbca,a=1.1741(5),b=1.6104(3),c=2.1066(5)nm,Z=8,V=3.9829nm3 R=0.043.(2)C23H20BNO3,monoclinic,space group P21/a,a=1.0008(1),b=1.3956(2),c=1.3617(3)nm,β=100.15(1)°,Z=4,V=1.8721nm3,R=0.089.The structures of the two compounds were solved by direct method.The atoms of B,C(39),C(37),1N and 0(3)form a chelate ring with coordinated bond between B and N atoms.Di-hedral angle between two benzenes is 57.8° for 1 and 95.7° for 2.The bond order and charge density from quantum chemistry calculation indicate the co-valence nature of the bonds involving B atom.
【Key words】 diarylboron compounds; 8-hydroxyquinoline; crystal structure; electronic structure;
- 【文献出处】 有机化学 ,Chinese Journal of Organic cHEMISTRY , 编辑部邮箱 ,1991年04期
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