STRUCTURE OF 2'-HYDROXY FLAVONE

The title compound [C15H10O3, MW = 238] crystallises in the monoclinic space group P2(1)/a with a = 25.684(2) Angstrom, b = 5.173(2) Angstrom, c = 18.014(3) Angstrom and beta = 110.44(4)degrees, V = 2245.7(2) Angstrom(3), Dx = 1.411 Mgm(-3), Z = 8, F(000) = 992, mu = 0.77 mm(-1), T = 293 K. The structure was solved by direct methods to a final R = 0.082 and Rw = 0.084 for 1715 observed reflections. There are two molecules in the asymmetric unit. They are similar in conformation. The benzopyran and phenyl rings are planar and the phenyl ring is rotated by 6.9(3)degrees and 9.5(3)degrees from the plane of the benzopyran ring in the two molecules, respectively. The molecules in the unit cell are stabilised by hydrogen bonds across the centre of inversion.