Crystal and molecular structure of exo-7,11-methano-5,6a,7,7a,10,11,11a-octahydrobenz[c]indeno[5,6-e]thiazine 6-oxide

Abstract

The structure of the title compound has been determined by a three-dimensional X-ray analysis. The monoclinic unit cell (space group P2₁/c) has dimensions a= 7·02 b= 12·86 c= 14·35 Å and β= 92·04° for Z= 4. The structure was solved by centrosymmetric symbolic addition and refined by least-squares calculations to R 0·103 for 2201 reflections. The molecule has exo-stereochemistry and is a racemic compound, with enantiomeric molecules forming centrosymmetric dimers through pairs of N–H ⋯ OS hydrogen bonds.