On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method

Abstract

Crystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However, scrapping the crystal off the surface leads to a morphology that is similar to the one observed for bulk crystallization. The surfaces of low wettability (paraffin) seem to be useful for preparation of amorphous powders, even for well-crystallizable compounds. The performed quantum chemistry computations characterized energetic contributions to stabilization of morphology related faces. It has been demonstrated, that the dominant face (002) of benzoic acid crystal, growing on polar surfaces, is characterized by the highest densities of intermolecular interaction energies determining the highest cohesive properties among all studied faces. Additionally, the inter-layer interactions, which stand for adhesive properties, are also the strongest in the case of this face. Thus, quantum chemistry computations providing detailed description of energetic contributions can be successfully used for clarification of adhesive and cohesive nature of benzoic acids crystal faces.

On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation

“…The noticed very good correlations between total Pauli repulsive densities and other contributions can be regarded as a general feature of applied analysis. The above conclusions are generally consistent with previously reported results for non-substituted benzoic acid [49]. This shows that, anisotropic properties of aromatic carboxylic acids crystals can be described in terms of IIE densities and the intermolecular interactions additive model.…”

“…5a and b) and also is observed experimentally. The conclusion that IIE densities control orientation effect on the polar surfaces was also documented for benzoic acid [49]. One can anticipate that the generalization of these observation is valid and for other crystals it is expected that those surfaces having of both the strongest cohesive and adhesive properties are ones appearing The inspection of energetic contributions to IIE presented in Fig.…”

“…It is understandable that, when crystallization is nucleated on the surface, crystals grow is forced in a direction perpendicular to the surface. For this reason there is a significant reduction of peaks number on diffraction spectra measured for crystals deposited on the surface compared to typical spectra of bulk solution crystallization [46][47][48][49]. Noteworthy, according to recent studies oriented depositions can also be obtained via nanoparticles suspension drying [50,51] and with the use of flow-enabled self-assembly method [52].…”

In silico screening of dicarboxylic acids for cocrystallization with phenylpiperazine derivatives based on both cocrystallization propensity and solubility advantage

“…This structure is classified in graph theory as R 2 2 (8), and is stabilized by two very strong hydrogen bonds. The contributions of these hydrogen bonds to the total stabilization energy of the crystal lattice can significantly exceed 50%; e.g., in crystals of aromatic carboxylic acids, the synthon stabilization energy exceeds the sum of the other kinds of intermolecular interactions that occur in the crystal lattice [60–62]. It is true that increasing the pressure can affect all types of interactions in a nonmonotonic manner [62], but the synthon stabilization energy still provides the dominant share of the total energy of the crystal.…”

Solvent-Mediated Polymorphic Transformation of Famoxadone from Form II to Form I in Several Mixed Solvent Systems

“…Crystallization is the widely-used method for isolation pf a solid-state chemical compound from solution at the manufacturing scale, and it is governed and affected by thermodynamic and kinetic factors [1][2][3][4][5][6]. Polymorphs crystallization often follows Ostwald's rule of stages [7], which postulates that system polymorphic crystallization is carried out from the supersaturated state stage to the equilibrium state in stages.…”