CrystEngComm Blog

The marketed crystalline form of the painkiller celecoxib (Cel-III), COX-2 selective anti-inflammatory drug, has poor solubility. Various strategies to improve this and increase its bioavailability have been published including the use of crystalline forms of the sodium salt. This study by Julius Remenar and colleagues in the USA describes the structural findings and insights that have resulted from their effort to harness and understand the sodium salts of Celecoxib. Find out more in this CrystEngComm ‘Hot Article’.

Celecoxib sodium salt: engineering crystal forms for performance
Julius F. Remenar, Mark D. Tawa, Matthew L. Peterson, Örn Almarsson, Magali B. Hickey and Bruce M. Foxman
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C0CE00475H, Paper

READ FOR FREE! Until November 18th.

Michael Zaworotko and colleagues from the University of South Florida demonstrate how a tetracarboxylic acid (BIPA-TC) is prepared using C³S³ and then used as a ligand to generate two isomeric nets that represent examples of “ligand-to-ligand” pillaring. To find out more about this ‘Hot Article’ read the full communication here.

Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers 
Jason A. Perman, Amy J. Cairns, Łukasz Wojtas, Mohamed Eddaoudi and Michael J. Zaworotko
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C0CE00542H, Communication

READ FOR FREE! Until November 16th.

A team at New York University have revealed the importance of chemical interactions at the nucleation surface compared with the periodic surface potential associated with epitaxy in controlling polymorphism through epitaxial relationships with crystalline substrates.  In this communication, Brian Olmsted and Michael Ward test the effectiveness of GRACE (Geometric Real-space Analysis of Crystal Epitaxy) software in predicting cases of epitaxially directed nucleation by performing a combinatorial crystallization study involving crystalline substrates and polymorphic compounds.

The role of chemical interactions and epitaxy during nucleation of organic crystals on crystalline substrates
Brian K. Olmsted and Michael D. Ward
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C0CE00366B, Communication

READ FOR FREE! Until 9th November.

Aurora Cruz-Cabeza and Colin Groom, CCDC, UK, investigate the stability of families of tautomers using the extensive Cambridge Structural Database. In the future, this analysis will help with predication of  tautomerism and tautomeric polymorphism in the solid state.

Identification, classification and relative stability of tautomers in the cambridge structural database 
Aurora J. Cruz-Cabeza and Colin R. Groom
CrystEngComm, 2010, DOI: 10.1039/C0CE00123F

READ FOR FREE! Until the 2nd of November.

In their CrystEngComm Hot Article, O-Pil Kwon and colleagues have developed a new cation core structure, N-benzyl stilbazolium nonlinear optical chromophore with a non-polar benzyl group to achieve acentric molecular ordering in the crystalline state.

Acentric nonlinear optical N-benzyl stilbazolium crystals with high environmental stability and enhanced molecular nonlinearity in solid state 
Pil-Joo Kim, Jae-Hyeok Jeong, Mojca Jazbinsek, Seong-Ji Kwon, Hoseop Yun, Jong-Taek Kim, Yoon Sup Lee, In-Hyung Baek, Fabian Rotermund, Peter Günter and O-Pil Kwon
CrystEngComm, 2010, DOI: 10.1039/C0CE00456A

READ FOR FREE! Until the 2nd of November.