SYNTHESIS AND STRUCTURAL INVESTIGATION OF MONO- (2-NITROTEREPHTHALATO)-DI(PYRIDINE)-DI SODIUM TRHYDRATE

Abstract

A new compound of 2-nitroterephthalic acid with sodium metal has been synthesized. Single crystals for X-ray diffraction analysis have been obtained. The molecular crystal structures of the new pyridine adduct have been deciphered. The crystallographic parameters are as follows: chemical formula C₄₂H₃₂N₆Na₂O₂₆, molecular weight 1059.72, intensity measurement temperature – 100.00(10) K, single crystal dimensions 0.43x0.21x0.16 mm³, CuKα radiation = 1.54184Å, theta minimum = 4 .1560, theta-maximum = 75.1850, number of obtained reflections 18785, number of independent reflections 4224, triclinic syngony, space group P-1, single crystal specific gravity d= 1.636 g/cm³, unit cell parameters: a = 9.6859Å, b= 10.4798Å, c= 10.8368Å, triclinic cell angles α= 96.3890⁰, β= 98.336⁰, γ= 94.853⁰ unit cell volume V = 1075.93 ų, number of molecules in the cell Z = 1, the final R-factor is 0.0332.
It has been established that metal Na is coordinated with the carboxyl group of the ligand according to the ionic type: Na(1)-0.
The pyridine molecules are not coordinated by the metal using strong hydrogen bonds to crosslink the monomeric molecules into a polymer chain.