Crystal Structure of 7,3'-Dihydroxy-4'-methoxyisoflavone

被引：0
|
作者：
DING Lana
机构：
来源：
Chinese Journal of Structural Chemistry | 2004年 / 07期
关键词：
dihydroxy-4-methoxyisoflavon; isolation; crystal structure;
D O I：
10.14102/j.cnki.0254-5861.2004.07.001
中图分类号：
O76 [晶体结构];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The title compound 7,3-dihydroxy-4-methoxyisoflavone isolated from the stems of Eremosparton songoricum was characterized by IR, 1H-NMR, 13C-NMR, H1-H1COSY, HMQC, HMBC and EIMS, and its crystal structure was determined by single-crystal X-ray diffraction with the following data: C16H12O5, monoclinic, P21/c, Z = 4, a = 9.926(8), b = 17.091(5), c = 8.001(4) , = 99.07(3) , V = 1340(1) 3, Mr = 284.26, Dc = 1.409 g/cm3, F(000) = 592, = 0.106 mm-1, R = 0.065 and wR = 0.1337 for 2084 observed reflections (I > 2.0s(I)). The molecular backbone of the compound includes a benzopyrone and a phenyl ring, and the dihedral angle between them is 50.21. The molecules form extensive networks through the intra- and intermolecular hydrogen bonds.
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页码：723 / 726
页数：4
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