7-BENZYL-3-THIA-7-AZABICYCLO[3.3.1]NONANE 3-OXIDE

The molecular geometry of a major metabolite, C14H19NOS, of a potent a nti-arrhythmic drug, 7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane (BRB-I- 28), has been determined by X-ray diffraction. The 3,7-dihetero bicycl ic system of the sulfoxide molecule adopts a chair-chair conformation like that of the HClO4 salt of the BRB-I-28 molecule, The S ... N cont act distance of 2.863 (2) Angstrom in the present molecule is signific antly shorter than that found in the crystal structure of its precurso r [3.038 (4) Angstrom]. The overall molecule possesses pseudo-mirror s ymmetry.