Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)


organic compounds



sj5292 scheme

Acta Cryst. (2013). E69, o359    [ doi:10.1107/S1600536813002262 ]

(Z)-3-Hydroxy-4-(4-methoxyphenyl)but-3-en-2-one

W. Fang, J.-P. Hu, M. Wang and M.-Z. Chen

Abstract: The title compound, C11H12O3, is potentially a butane-2,3-dione derivative but exists in the enol form in the solid state. In the molecule, the 3-hydroxybut-3-en-2-one, benzene and methoxyl fragments are almost co-planar. The 3-hydroxybut-3-en-2-one fragment is almost planar with an r.m.s. deviation of 0.040 Å. The dihedral angle between this plane and that of the benzene ring is 5.88 (4)°. The 4-methoxy group also lies close to the benzene ring plane, with deviations of 0.0206 (11) Å for the O and 0.087 (2) Å for methyl C atoms. Hence, the whole molecule is almost planar with an r.m.s. deviation of 0.0617 Å from a plane through all 14 non-H atoms. In the crystal, the molecules are linked by O-H...O hydrogen bonds, generating [010] chains.


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