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

• Published in: Molecular Crystals and Liquid Crystals Vol. 609; no. 1; pp. 218 - 227
• Main Authors: Delgado, Gerzon E., Varela, Kristal N., Mora, Asiloé J., Bruno-Colmenárez, Julia, Atencio, Reinaldo
• Format: Journal Article
• Language: English
• Published: Philadelphia Taylor & Francis 04.03.2015; Taylor & Francis Ltd
• Subjects: Cations; Chemical synthesis; Crystal structure; Crystallography; Diffraction; Hydrogen bonding; Hydrogen bonds; ionic ensemble; Molecular structure; multicomponent crystal; Spectrum analysis; Thermal properties; Three dimensional; Unit cell; X-ray crystal structure; X-rays
• ISSN: 1542-1406; 1563-5287; 1527-1943
• DOI: 10.1080/15421406.2014.954769

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 P2 1 /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, C 6 H 7 N 2 O + ·C 2 H 2 NO 3 − , 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.