STRUCTURE OF 2',4'-DIHYDROXY-4,6'-DIMETHOXY-ALPHA,BETA-DIHYDROCHALCONE

被引：4

作者：

DEMATHEUS, M

MARTINEZ, JC

RIUS, J

MIRAVITLLES, C

机构：

[1] CSIC, INST CIENCIA MAT BARCELONA, CAMPUS UNIV BELLATERRA, E-08193 CERDANYOLA, SPAIN

[2] UNIV NACL COLOMBIA, DEPT QUIM, SANTA FE DE BOGOTA, COLOMBIA

来源：

ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY | 1991年 / 47卷

关键词：

D O I：

10.1107/S0108270191001178

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

C17H18O5, M(r) = 302, monoclinic, P2(1)/c, a = 4.856 (3), b = 28.896 (7), c = 10.776 (3) angstrom, beta = 98.04 (4)-degrees, V = 1497 (1) angstrom 3, Z = 4, D(x) = 1.34 g cm-3, Mo K-alpha, lambda = 0.71069 angstrom, mu = 0.922 cm-1, F(000) = 640, room temperature, R = 0.068, wR = 0.074 for 792 observed reflections [I greater-than-or-equal-to 2.5-sigma(I)]. The phenyl rings are planar within experimental accuracy; the angle between the normals to the best least-squares planes of the phenyl rings is 81.49 (9)-degrees. Intermolecular and intramolecular hydrogen bonds are present: O1...H3'-O3' (x - 1, 1/2 - y, 1/2 + z), 2.77 (1) angstrom, O2-H2...O1, 2.50 (1) angstrom; this interaction may contribute to the low value of the O1-C1-C2-C3 [-5.42 (9)-degrees] and O1-C1-C11-C12 [5.63 (9)-degrees] torsion angles. The molecular structure found is in total agreement with spectroscopic results.

引用

页码：1744 / 1746

页数：3