Bhaskar Tiwari, Hanns-Peter Liermann, Simon Parsons* and Nico Giordano*,
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引用次数: 0
Abstract
The effect of high pressure on ribavirin, a broad-spectrum antiviral consisting of ribofuranosyl triazole, and carboxamide moieties, has been studied up to ∼10 GPa. Three new high-pressure phases, designated V3, V4 and V5, have been obtained by compression of the ambient-pressure V2 form with structures refined up to 7.5 GPa. The new phases are formed at 5.3, 6.0, and 7.2 GPa, respectively, and crystallize in space group P212121 with Z′ = 3, 1, and 1. They are distinguished by changes in the conformation of the ribofuranosyl moiety which impacts both the molecular geometry and the supramolecular structure.
We report multiple high-pressure phase transitions of the V2 form of ribavirin due to conformational flexibility in its ribofuranosyl ring. Changes in the ring conformation affect the molecular geometry and the supramolecular structure and are described in terms of a pseudorotation pathway.
期刊介绍：
The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials.
Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.
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