ArticleActa crystallographica. Section C, Structural chemistry2026
Structure and intermolecular interactions of the rare amide-pyridine synthon: a cocrystal of nicotinamide and 2-chloro-3-hydroxypyridine.
Article in Acta crystallographica. Section C, Structural chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Nicotinamide (Nico) and derivatives of pyridine are important materials in both the pharmaceutical and agrochemical industries. In the 21st century, pyridine-based agrochemical products achieved commercial success because of their structural diversity and different modes of action that can be explored to improve the effectiveness of the compounds. In this article, we explore the cocrystallization of nicotinamide/isonicotinamide and substituted pyridines and their synthons to understand their ease of formation. A cocrystal of Nico and 2-chloro-3-hydroxypyridine (2Cl3OHPY) was synthesized using solution and mechanochemical methods, and characterized by X-ray diffraction. The structural stability and intermolecular interaction of the (Nico)·(2Cl3OHPY) cocrystal were investigated using differential scanning calorimetry (DSC) and density functional theory (DFT). The cocrystal has strong chain (N-H...N), dimer (N-H...O) and discrete (N-H...O) hydrogen bonds with energy strengths of -31.21, -66.99 and -36.82 kJ mol
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