2-Hexanoyl-1-tribromomethyl-1,2,3,4-tetrahydro-β-carboline: Crystal Structure Analysis of a Potent Inhibitor of Complex I of Mitochondrial Respiration

The molecular structure of the title compound 2-hexanoyl-1-tribromomethyl-1,2,3,4-tetra-hydro-β-carboline (3), a potent inhibitor of complex I of the mammalian mitochondrial respiratory chain, has been studied by single-crystal X-ray diffraction analysis. In the crystal, two heterochiral molecules of 3 (i.e., one R- and one S-configured molecule each) were found to be connected with one other in pairs via two intermolecular hydrogen bonds [O(215) ··· H(212)′ and O(215)′ ··· H(212)] to form an overall achiral ‘dimeric’ subunit