Synthesis, characterization, crystal, and molecular structure analysis of 3,4- dihydro-6-(2-hydroxyphenyl)-5-nitro-4- phenylpyrimidin-2(1H)-one

Abstract

A novel nitro and 2-hydroxyphenyl functionalized pyrimidinone at C5 and C6, respectively, has been synthesized using 1-(2-hydroxyphenyl)-2-nitroethanone, benzaldehyde, urea, and etidronic acid as a catalyst is described. The synthesized compound characterized by spectroscopic techniques and finally confirmed by X-ray diffraction studies. The molecule crystallizes in the monoclinic crystal class in the space group P21/c with cell parameters a = 11.1070(10)Å, b = 8.8210(4)Å, c = 15.1110(13)Å, β = 106.193(2)◦, and Z = 4. The pyrimidine ring adopts flattened boat conformation.