Publications by authors named "Andrea Thaler"
Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin.
Acta Crystallogr C Struct Chem
September 2017
Article Synopsis
- The sotagliflozin molecule exists in two different forms: one as a pure crystal (form 1) and the other as a monohydrate (form 2) that includes water.
- Both forms feature layers held together by hydrogen bonds, which involve three hydroxyl (-OH) groups in their structure.
- The molecular interactions in these layers differ, with the non-hydrogen-bonded interactions in both forms having higher energy compared to the hydrogen-bonded pairs, and each layer has a different geometric arrangement or topology.