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

被引：78

作者：

Mishra, Manish Kumar ^{[1
]}

Sanphui, Palash ^{[1
]}

Ramamurty, Upadrasta ^{[2
,3
]}

Desiraju, Gautam R. ^{[1
]}

机构：

[1] Indian Inst Sci, Solid State & Struct Chem Unit, Bangalore 560012, Karnataka, India

[2] Indian Inst Sci, Dept Mat Engn, Bangalore 560012, Karnataka, India

[3] King Abdulaziz Univ, Ctr Excellence Adv Mat Res, Jeddah 21589, Saudi Arabia

来源：

CRYSTAL GROWTH & DESIGN | 2014年 / 14卷 / 06期

关键词：

ELASTIC-MODULUS; NANOINDENTATION; INDENTATION; BEHAVIOR; SOLIDS;

D O I：

10.1021/cg500305n

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：3054 / 3061

页数：8

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