Karolina Kopczyńska, Christopher J. Kingsbury, Elna Pidcock, Alexandru A. Moldovan and Izabela D. Madura*,
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A Case of Unusual Cocrystal Polymorphs of Caffeine and Phenylboronic Acid: Cambridge Structural Database Tools in Action
Caffeine shares many qualities with drugs and biomolecules and is an ideal model to explore the effectiveness of available crystal structure analysis tools for cocrystal structure comparison and design. Two new cocrystal structures of caffeine and phenylboronic acid are reported; these arrangements are compared with each other and the broader crystallographic literature for hydrogen bonding, aromatic interactions, and predicted and measured crystal morphology.
This research uses caffeine cocrystals to showcase modern crystal structure analysis tools and highlight best practices in cocrystal polymorphism studies.
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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