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Issue 32, 2018
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Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates

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Abstract

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.

Graphical abstract: Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates

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Publication details

The article was received on 10 Apr 2018, accepted on 22 Jun 2018 and first published on 22 Jun 2018


Article type: Communication
DOI: 10.1039/C8CE00567B
Citation: CrystEngComm, 2018,20, 4526-4530
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    Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates

    R. Barbas, R. Prohens, M. Font-Bardia, A. Bauzá and A. Frontera, CrystEngComm, 2018, 20, 4526
    DOI: 10.1039/C8CE00567B

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