Synthesis, crystal structure and biological evaluation of 2,9-bis(2,3-difluorobenzyl)-β-carbolineum bromide as an anticancer agent

Novel crystal 2,9-bis(2,3-difluorobenzyl)-β-carbolineum bromide, C₂₅H₁₇BrF₄N₂ was synthesised through decarboxylation of ethyl β-carboline-3-carboxylate with 2,3-difluorobenzyl bromide in the presence of sodium hydride in DMF, yield (81%). The structure was characterized by ¹H- and ¹³C-NMR, FT-IR, MS (ESI-MS) spectrum and elemental analysis. Its crystal structure was determined by X-ray single-crystal diffraction. The crystal is monoclinic, space group C2/c with a = 21.0117(17), b = 15.4135(12), c = 13.0639(11) Å, β = 95.4101(19) (°), V = 4212.1(6) ų, Z = 8, F(000) = 2016, D_c = 1.581 g cm⁻³ and µ = 2.00 mm⁻¹. A potential anticancer agents (IC₅₀ = 1.05 ± 0.08 µM).