Diversity and Similarity in Isonicotinamide Two-Component Phases with Alkyl Carboxylic Acids: Focus on Solvates

Abstract

We present an investigation of solvate formation of isonicotinamide (INA) with linear monocarboxylic acids and several other solvents and characterization of the obtained solvates, their structure, and structural similarity with INA polymorphs and multicomponent phases. We report the crystal structures of four new INA solvates and present the results of crystallographic analysis of a total of eight solvates. All eight solvates crystallize in a monoclinic or triclinic crystal system and have similar hydrogen-bonding patterns. To characterize and better understand the formation of INA linear monocarboxylic acid solvates, these phases were characterized by using thermal analysis and their crystal structures by using theoretical calculations, energy frameworks, and Hirshfeld surface fingerprint plots.