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Weak interactions involving organic fluorine: analysis of structural motifs in Flunazirine and Haloperidol

Prasanna, MD and Row, Guru TN (2001) Weak interactions involving organic fluorine: analysis of structural motifs in Flunazirine and Haloperidol. In: Journal of Molecular Structure, 562 (1-3). pp. 55-61.

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Official URL: http://dx.doi.org/10.1016/S0022-2860(00)00765-1


The crystal structure of Flunazirine, an anticonvulsant drug, is analyzed in terms of intermolecular interactions involving fluorine. The structure displays motifs formed by only weak interactions C–H⋯F and C–H⋯π. The motifs thus generated show cavities, which could serve as hosts for complexation. The structure of Flunazirine displays cavities formed by C–H⋯F and C–H⋯π interactions. Haloperidol, an antipsychotic drug, shows F⋯F interactions in the crystalline lattice in lieu of Cl⋯Cl interactions. However, strong O–H⋯N interactions dominate packing. The salient features of the two structures in terms of intermolecular interactions reveal, even though organic fluorine has lower tendency to engage in hydrogen bonding and F⋯F interactions, these interactions could play a significant role in the design of molecular assemblies via crystal engineering.

Item Type: Journal Article
Publication: Journal of Molecular Structure
Publisher: Elsevier Science
Additional Information: Copyright of this article belongs to Elsevier Science.
Keywords: Weak interactions;Crystal engineering;Crystal packing
Department/Centre: Division of Chemical Sciences > Organic Chemistry
Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 07 Dec 2011 08:56
Last Modified: 07 Dec 2011 08:56
URI: http://eprints.iisc.ac.in/id/eprint/40386

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