title: 7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonane 3-oxide.
abstract: The molecular geometry of a major metabolite, C14H19NOS, of a potent anti-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 bicyclic 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 contact distance of 2.863(2)A in the present molecule is significantly shorter than that found in the crystal structure of its precursor [3.038(4)A]. The overall molecule possesses pseudo-mirror symmetry.
authors.affiliation: Department of Chemistry and Biochemistry, University of Oklahoma, Norman 73019, USA.
authors.forename: M B
authors.initials: MB
authors.lastname: Hossain
authors.forename: D
authors.initials: D
authors.lastname: van der Helm
authors.forename: S
authors.initials: S
authors.lastname: Sangiah
authors.forename: K D
authors.initials: KD
authors.lastname: Berlin
mesh_terms: D000889:Anti-Arrhythmia Agents / Q000737:chemistry*; D019086:Bridged Bicyclo Compounds, Heterocyclic / Q000737:chemistry*; D015394:Molecular Structure; D014961:X-Ray Diffraction
chemical_list: D000889:Anti-Arrhythmia Agents; D019086:Bridged Bicyclo Compounds, Heterocyclic; C041492:7-benzyl 3-thia-7-azabicyclo(3.3.1)nonane