Synthesis and Crystal Structure of Benzofuran Derivative

摘要

The single crystal of 5-nitro-3-N-(succinimidyl)-2-benzofuran acid ethyl ester (3) was obtained by recrystallization from petroleum ether-ethyl acetate (2:1 v/v) solution. Its structure was confirmed by EI-MS, ~1H NMR, ~(13)C NMR and single crystal X-ray diffraction analysis. It crystallized in the triclinic system, space group P-l with unit cell parameters: a = 9.268(13) A, b = 11.671(15) A, c = 15.414(2) A, α = 75.185 (5)°, β = 72.683 (5)°, γ= 71.301 (5)°. V = 1483.8 (3) A~3,Z = 4, Mr = 332.27, Dc = 1.487 g/cm~3, μ = 0.120 mm~(-1), F(000) = 688.0, R = 0.0414, wR = 0.1108 for 5148 reflections with I > 2σ (I). The crystal is stabilized by hydrogen bondings and C-H...π interactions and forming a 2D supramolecular layer structure.