7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonane 3-oxide

Acta Crystallogr C. 1996 Apr 15:52 ( Pt 4):995-8. doi: 10.1107/s0108270195015447.

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.

Publication types

  • Comparative Study
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Anti-Arrhythmia Agents / chemistry*
  • Bridged Bicyclo Compounds, Heterocyclic / chemistry*
  • Molecular Structure
  • X-Ray Diffraction

Substances

  • Anti-Arrhythmia Agents
  • Bridged Bicyclo Compounds, Heterocyclic
  • 7-benzyl 3-thia-7-azabicyclo(3.3.1)nonane