Synthesis, Crystal Structure, and Biological Activity of Diethyl-2-[5-(4-Fluorophenyl)-7-(Trifluoromethyl)Pyrazolo[1,5-a] Pyrimidine-3-Carboxamido]Pentanedioate

The title compound, diethyl-2-[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamido]pentanedioate (C 23 H 22 F 4 N 4 O 5 , Mr = 510.45) was synthesised and structurally characterised by element analysis, IR, 1 H NMR and single crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group C 121 with a=27001(3) Å, b=7.161(1) Å, c = 12.0900 Å, α=90.00 °, β=92.379 (7) °, λ=90.00 °. In the crystal structure, the dihedral angles between the benzene ring and pyrazolopyrimidine are 53.618(162)°. Through C-H…F and C-H…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.