Synthesis, Thermal Studies, Spectroscopy Characterization, and Crystal Structure of Nicotinamidium Oxamate

DELGADO, GERZON E.; VARELA, KRISTAL N.; MORA, ASILOÉ J.; BRUNO-COLMENÁREZ, JULIA; ATENCIO, REINALDO

MOLECULAR CRYSTALS AND LIQUID CRYSTALS - (Print)

TAYLOR & FRANCIS LTD

Año: 2015 vol. 609 p. 218 - 227

1542-1406

The title compound has been synthesized by grinding in an agate mortar. Its structure was characterized by TGA-DSC studies, FT-IR, X-ray powder diffraction data, and single-crystal X-ray diffraction. This compound crystallize in the monoclinic system with space group P21/c, Z = 4, and unit cell parameters a = 6.9834(4) Å, b = 9.8771(6) Å, c = 13.6740(8) Å, and β = 103.861(1)°. The salt, C6H7N2O+·C2H2NO3-, or NA+:OXAM-, is an ionic ensemble assisted by hydrogen bonds established between nicotinamidium cations and oxamate anions. The molecular structure and crystal packing are stabilized mainly by four intermolecular N-H⋯O hydrogen bonds, reinforced by two C-H⋯O hydrogen bonds and three intramolecular interactions. The two components thus construct a supramolecular assembly with a three-dimensional hydrogen bonded framework.