Synthesis, crystal structure, and biological activity of diethyl-2-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo1,5-apyrimidine-3-carboxamidopentanedioate

摘要

The title compound, diethyl-2-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo1,5-apyrimidine-3-carboxamidopentanedioate (C23H22F4N4O5, Mr = 510.45) was synthesised and structurally characterised by element analysis, IR, H-1 NMR and single crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group C-121 with a = 27.001(3) angstrom, b = 7.161(1) angstrom, c = 12.0900 angstrom, alpha = 90.00 degrees, beta = 92.379 (7)degrees, gamma = 90.00 degrees. In the crystal structure, the dihedral angles between the benzene ring and pyrazolopyrimidine are 53.618(162)degrees. Through C-H center dot center dot center dot F and C-H center dot center dot center dot O weak hydrogen bonds among molecules, the whole molecule is stacked into a three-dimensional structure. In addition, the compound possesses a moderate antituberculosis activity.