2-hexanoyl-1-tribromomethyl-1,2,3,4-tetrahydro-beta-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-tetr hydro;A-carboline (3), a potent inhibitor of complex I of the m ammalian mitochondrial respiratory chain, has been studied by single-crysta l 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 connec ted with one other in pairs I ia two intermolecular hydrogen bonds [O(215). ..(212)' and O(215)'... H(212)] to form an overall achiral 'dimeric' subuni t.