Co-crystals of an agrochemical active – A pyridine-amine synthon for a thioamide group

Abstract

Five novel co-crystals of thiophanate-ethyl (TE), an agrochemical active, with di(2-pyridyl)ketone (1), 2-benzoylpyridine (2), 3-benzoylpyridine (3), 4-phenylpyridine (4) and biphenyl (5) were found and crystal structures of four of them (TE1-TE3, TE5) solved by single crystal X-ray diffraction. Three of the cocrystals (TE1-TE3) form by way of a reliable pyridine-amine hydrogen bond synthon and one (TE5) because of close packing effects. The fifth co-crystal was identified by X-ray powder diffraction. The work demonstrates the usage of a reliable supramolecular synthon for crystal engineering, while concurrently reminds that the close packing of even very similar molecules cannot be fully predicted.

Drug–Drug Molecular Salt Hydrate of an Anticancer Drug Gefitinib and a Loop Diuretic Drug Furosemide: An Alternative for Multidrug Treatment

“…Preparation of multicomponent crystals or cocrystals [1][2][3][4][5][6] and the study of their physicochemical properties have evolved into a contemporary area of research comprising pharmaceutical solids, [7][8][9][10][11][12] agrochemicals, 13 high energy materials, [14][15][16][17] and so on in the last two or three decades. Constant and consistent attempt to develop active pharmaceutical ingredient (API) cocrystals with suitable cocrystal excipient is gaining widespread research interest because of its exploitation in tuning the physicochemical properties of an API that could be economically beneficial and intellectually stimulating.…”

Cocrystals in the Cambridge Structural Database: a network approach

“…The opportunity to alter several physico-chemical properties of high-value chemicals, such as pharmaceuticals (Berry & Steed, 2017) and agrochemicals (Nauha & Nissinen, 2011), without changing their molecular structure and function, has promoted the use of multi-component crystals (or systems) as a formulation tool. Multi-component systems, such as salts, solvates and cocrystals, are crystalline aggregates containing multiple ionic and/or neutral species in the crystal lattice (Grothe et al, 2016).…”

Crystal Structural Analysis of DL-Mandelate Salt of Carvedilol and Its Correlation with Physicochemical Properties

“…In recent years, the use of crystal engineering to prepare multi-component crystals of pharmaceutically important drug molecules [1][2][3][4][5][6][7][8], agrochemicals [9], pigments [10,11], and explosive materials [12][13][14] has been widely investigated owing to potential applications in the modification of the physicochemical properties, such as solubility, stability, and bioavailability. Among them, pharmaceutical drug molecules are extremely significant as more than 40% of marketed drug molecules suffer solubility issues [15][16][17].…”