Absolute configuration and structural features of R207910, a novel anti-tuberculosis agent

In the structure of R207910 ((1R,2S)-1-(6-bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol, C32H31BrN2O2), the two independent molecules of the asymmetric unit present similar conformations. They are related to each other by a local pseudo-binary axis whose orientation does not correspond to a defined crystallographic direction of the orthorhombic unit cell, giving rise to an unusual type of supersymmetry. Infinite molecular chains are generated by two types of weak intermolecular contacts: Br–Br interactions and π-stacking. The role of these weak contacts and of (CH–π) interactions in the structural cohesion is highlighted, and their possible incidence on supersymmetry is envisaged.