Synthesis and Crystal Structure of 5-Chloro-3,4-dihydroxy-3-(2-hydroxyethyl) isobenzofuran-1(3H)-one

5-Chloro-3,4-dihydroxy-3-(2-hydroxyethyl)isobenzofiiran-1(3H)-one (C10H9ClO5,M-r =244.63) has been synthesized using 2-chloro-5-trifluoromethylphenol as starting material through esterification, Friedel-Crafts acylation, hydrolysis, and cyclization reaction. The compound was characterized by infrared (IR),H- 1 nuclear magnetic resonance (NMR), C-13 NMR, and elemental analysis. The single crystal structure of the title compounds has been further determined by X-ray diffraction. The crystal belongs to the triclinic system, space group P (1) over bar. with a=7.8111(16) angstrom, b=7.8164(16) angstrom, c=8.5660( 17) angstrom, alpha=82.50(3)degrees, beta=71.28(3)degrees, gamma=68.22(3)degrees, V=459.93(16)angstrom(3) , Z=2, D-c=1.766 g/cm(3), mu=0.418 mm(-1), F(000)=252, the final R-1 =0.0792, and wR(2) (I>2 sigma(I))=0.2209. The existence of pi-pi conjunction effect resulted in correlative bond length shorter than typical bond length in the crystal. The title compound is assembled into a three-dimensional supramolecular structure by two intermolecular hydrogen bonds and one intramolecular hydrogen bond. [GRAPHICS] .