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Solubility-Hardness Correlation in Molecular Crystals: Curcumin and Sulfathiazole Polymorphs

Mishra, Manish Kumar and Sanphui, Palash and Ramamurty, Upadrasta and Desiraju, Gautam R (2014) Solubility-Hardness Correlation in Molecular Crystals: Curcumin and Sulfathiazole Polymorphs. In: CRYSTAL GROWTH & DESIGN, 14 (6). pp. 3054-3061.

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Official URL: http://www.dx.doi.in/10.1021/cg5001749


Curcumin and sulfathiazole exist as three and five polymorphs, respectively. We correlate solubility and mechanical properties in these polymorphic systems. It is seen that hardness (H) is inversely proportional to the solubility of a polymorph. H of the polymorphs is explained on the basis of slip planes in the crystal structure, the Schmid factor (m), and the relative orientation of molecules with respect to the nanoindenter direction. Effectively, H is a useful parameter (compared to melting point, T-m, and density, rho) that correlates well with the solubility of a polymorph. Such a correlation is helpful in systems like curcumin and sulfathiazole in which the Gibbs free energy of the polymorphs are close to one another. To summarize, a softer polymorph is more soluble.

Item Type: Journal Article
Additional Information: Copy right for this article belongs to MER CHEMICAL SOC, USA.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Division of Mechanical Sciences > Materials Engineering (formerly Metallurgy)
Date Deposited: 14 Jul 2014 08:50
Last Modified: 14 Jul 2014 08:50
URI: http://eprints.iisc.ac.in/id/eprint/49425

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