Synthesis and Crystal Structure of (S)-2-(3-Oxo-1,3- Dihydroisobenzofuran-1-yl)phthalazin-1(2H)-One

Abstract

Abstract A heterocycle compound, C16H10N2O3, has been synthesized by the reaction of hydrazine hydrate, 2-carboxybenzaldehyde and magnesium chloride hexahydrate in CH3CH2OH-water (v: v= 1: 1) solution. The crystal structure of (S)-2-(3-oxo-1, 3- dihydroisobenzofuran-1-yl) phthalazin-1(2H)-one has been determined by X-ray single crystal diffraction analysis. The result shows that the (S)-2-(3-oxo-1, 3- dihydroisobenzofuran-1-yl) phthalazin-1(2H)-one belongs to triclinic, space group P-1 with a = 7.2049(8) Å, b = 8.0215(9) Å, c = 10.9938(14) Å, a = 81.120(10)°, β = 85.939(10)°, γ =88.934(9)°, V = 626.17(13) Å3, Z = 2, Dc = 1.476 mg·m−3, μ = 0.104 mm−1, F(000)=288, and final R 1 =0.0935, ωR 2 = 0.1018. The title compound molecules form 3D network structure by the interaction of aza-heterocycle and oxa-heterocycle of (S)-2-(3-oxo-1, 3-dihydroisobenzofuran-1-yl) phthalazin-1(2H)-one molecules.