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Spinning, sliding, flexing, and jumping of theophylline sulfate between concomitant polymorphs and hydrates
Date
2024
Abstract
The solid form screening of theophylline (TP) and sulfuric acid led to a collection of new crystals including two anhydrous sulfate salts (TPH+HSO4- form I and TPH+HSO4- form II) and two hydrated salts (bis-theophyllinium sulfate monohydrate ([TPH+]2SO42-·H2O) and theophyllinium hydrogen sulfate dihydrate (TPH+HSO4-·2H2O)). The new structures were determined and their stability was investigated, suggesting multiple modes of movement for the ions in the solid state. Anhydrous TPH+HSO4- form II exhibits unusually large anisotropic linear thermal expansion, associated with the elongation of a unique sulfate−π contact. Additionally, thermal dehydration of TPH+HSO4-·2H2O occurs in a salient, rocket like manner that may be caused by the sudden release of water vapor trapped inside the particles. © 2024 The Authors. Published by American Chemical Society.
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Description
Publisher
American Chemical Society
Citation
Crystal Growth & Design 2025 25 (2), pp. 330-339