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


Autoria(s): Mishra, Manish Kumar; Sanphui, Palash; Ramamurty, Upadrasta; Desiraju, Gautam R
Data(s)

2014

Resumo

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.

Formato

application/pdf

Identificador

http://eprints.iisc.ernet.in/49425/1/cry_gro_des_14-6_3054_2014.pdf.pdf

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.

Publicador

AMER CHEMICAL SOC

Relação

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

http://eprints.iisc.ernet.in/49425/

Palavras-Chave #Solid State & Structural Chemistry Unit #Materials Engineering (formerly Metallurgy)
Tipo

Journal Article

PeerReviewed