Crystal Structure of 4,6-Dimethyl-2-{4-[(2-pyrimidyl)piperazin-1-yl]-methyl}isothiazolo[5,4-b]pyridin-3(2H)-one

Abstract

The title compound, C₁₇H₂₀N₆OS, crystallizes in the triclinic system, space group P1, with cell constants a = 6.166(1)Å, b = 8.874(2)Å, c = 16.850(3)Å, α = 80.89(3)°, β = 86.71(3)°, γ = 73.35(3)° and Z = 2. The piperazine ring adopts a chair conformation. A strong conjugation effect of the lone pair of the tertiary N atom with the π-electron system of the pyrimidine ring is observed. The molecular packing is influenced by the weak C-H…O intermolecular hydrogen bonds.