Despite the fact that the intrinsic activity of a drug is determined by its chemical structure in solution and the mode of interaction with receptors, the ability to release the drug to patients safely and efficiently may depend on its solid-state properties.
Single-crystal X-ray diffraction is the most common experimental method to understand the structural characteristics of a compound. Although this structure does not necessarily resemble the molecule present in the biological medium, data coming from those studies are considered as useful information in Medicinal Chemistry.
As part of an ongoing research project (1-3), a library of N-benzenesulfonyl derivatives of heterocycles has been prepared, some of them have presented interesting antiparasitic (1, 2), and antibacterial (3) activities. In this study, we report the crystal structure of N-benzenesulfonyl-1,2,3,4-tetrahydroquinoline, BSTHQ, one of the compounds of the library. It was carried out to get information that will be used in rational drug design and virtual screening.
