News23.07.2018Publication of the article “Hydrogen bonding versus π–interactions: their key competition in sildenafil solvates.” |
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PhD. Rafel Prohens, Responsible of the Polymorphism and Calorimetry Technology of the CCiTUB, along with Mr. Rafael Barbas technician of the same technology, and PhD. Mercè Font technician of the X-Ray Diffraction technology, have published the article:“Hydrogen bonding versus π–interactions: their key competition in sildenafil solvates” in the journal CrystEngComm. The article has been made possible thanks to the collaboration University-Company, in this particular case, in the framework of the agreement between the company CIRCE Crystal Engineering and the CCiTUB. The summary of the article is: "Herein we report the X-ray characterization of four sildenafil solvates where the conformation of the pyrazolo[3,4-d]pyrimidine and phenyl rings depends on the solvent. It conditions the formation of an apparently innocent intramolecular H-bond that has a remarkable influence on the solid state architecture of the sildenafil solvates. DFT calculations indicate that a delicate balance between the energies of H-bonding and π–π (or lp–π) interactions are crucial". More information is available at the following link: [+]. |
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