Abstract
In the title compound, C12H12O4, the dihedral angle between the plane through the phenyl ring and the mean plane of the side chain is approximately 14°. The molecules, which contain an intramolecular O—H⋯O hydrogen bond, are linked end-to-end by weak C—H⋯O intermolecular hydrogen-bonding contacts, forming infinite one-dimensional chain systems in the crystal structure.
Highlights
In the title compound, C12H12O4, the dihedral angle between the plane through the phenyl ring and the mean plane of the side chain is approximately 14
The 2,4-diketo acids examined for hydrolysis by acetopyruvate hydrolase from rat liver (EC 3.7.1.5) all have aliphatic side chains.(Davey & Ribbons, 1975)
The S(6) intra-molecular hydrogen bond type is observed in 2-hydroxy-4-oxo-4-phenyl-3(Z)-butenic acid and 4-hydroxy-2-oxo-6phenyl-3(Z),5(E)-hexadienic acid, but the monomer of the former is extended by the R22(8) (Bernstein et al 1995) intermolecular H-bonds, related by a centre of inversion to form a two-dimensional layer with head-to-tail packing architecture (Aliev et al, 2000a,b)
Summary
Cancer Institute and Hospital PET–CT, Tianjin 300071, People’s Republic of China, and bSchool of Pharmaceutical Sciences, Tianjin Medical University, Tianjin Hydrogen-bond geometry (Å, ). R factor = 0.049; wR factor = 0.150; data-to-parameter ratio = 15.8. In the title compound, C12H12O4, the dihedral angle between the plane through the phenyl ring and the mean plane of the side chain is approximately 14 . The molecules, which contain an intramolecular O—H O hydrogen bond, are linked endto-end by weak C—H O intermolecular hydrogen-bonding contacts, forming infinite one-dimensional chain systems in the crystal structure. Symmetry codes: (i) x; y; z 1; (ii) x; y; z þ 1.
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