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(Z)-3-Hy-droxy-4-(4-meth-oxy-phen-yl)but-3-en-2-one.

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 mol-ecule, the 3-hy-droxy-but-3-en-2-one, benzene and methoxyl fragments are almost co-planar. The 3-hy-droxy-but-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-meth-oxy 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 mol-ecule 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.

SUBMITTER: Fang W 

PROVIDER: S-EPMC3588538 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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(Z)-3-Hy-droxy-4-(4-meth-oxy-phen-yl)but-3-en-2-one.

Fang Wei W   Hu Jun-Ping JP   Wang Mei M   Chen Mu-Zi MZ  

Acta crystallographica. Section E, Structure reports online 20130209 Pt 3

The title compound, C11H12O3, is potentially a butane-2,3-dione derivative but exists in the enol form in the solid state. In the mol-ecule, the 3-hy-droxy-but-3-en-2-one, benzene and methoxyl fragments are almost co-planar. The 3-hy-droxy-but-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-meth-oxy group also lies close to the benzene ring plane, with deviations of 0.0206 (11) Å for  ...[more]

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