Using crystallography, topology and graph set analysis for the description of the hydrogen bond network of triamterene: a rational approach to solid form selection

摘要

This study has demonstrated the use of crystallography, topology and graph set analysis in the description and classification of the complex hydrogen bonded network of triamterene. The aim is to give a brief overview of the methodology used to discuss the crystal structure of triamterene with a view to extending the study to include the solvates, cocrystals and salts of this compound. KeywordsTriamtereneCrystallographyTopologyGraph set analysisSolid form selection IntroductionThe Directed Assembly Network, an EPSRC Grand Challenge Network, was created in 2010 to build a wide-reaching community of scientists, engineers and industrial members that includes chemists, biologists, physicists, chemical engineers, mathematicians and computer scientists with a view to solving some of the most important technological (academic and industrial) challenges over the next 20鈥?0 years through a structured programme of short, medium and long-term goals. A key document 鈥淒irected Assembly Network: Beyond the molecule鈥擜 Roadmap to Innovation鈥?has been created by this community over several years of consultation and refinement. The latest version of this document published in 2016 outlines the programme and contains five main drivers (themes) for innovation [1]. The second theme involves controlling the nucleation and crystallization processes in the pharmaceutical and other fine chemical industries.