利巴韦林的高压多态性。

IF 3.2 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Crystal Growth & Design Pub Date : 2025-05-12 eCollection Date: 2025-05-21 DOI:10.1021/acs.cgd.5c00372

Bhaskar Tiwari, Hanns-Peter Liermann, Simon Parsons, Nico Giordano

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引用次数: 0

摘要

高压对利巴韦林（一种由核呋喃基三唑和羧酰胺组成的广谱抗病毒药物）的影响已经研究到高达10 GPa。通过压缩常压V2形式，获得了三个新的高压相，分别为V3、V4和V5，结构细化至7.5 GPa。新相分别在5.3、6.0和7.2 GPa下形成，并在Z′= 3、1和1的P212121空间群中结晶。它们的区别在于核呋喃基部分构象的变化，这种变化会影响分子几何形状和超分子结构。

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High-Pressure Polymorphism of Ribavirin.

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.

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来源期刊

Crystal Growth & Design 化学-材料科学：综合

CiteScore

6.30

自引率

10.50%

发文量

650

审稿时长

1.9 months

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.