Crystal and molecular structure of 2α-bromo-α-tetrahydrosantonin

Academic Article


  • X-Ray analysis of 2α-bromo-α-tetrahydrosantonin, in addition to confirming the stereochemistry of α-tetrahydrosantonin as envisaged by earlier workers, shows that the trans-fused rings A and B adopt the chair conformation and the trans-fused γ-lactone ring adopts an envelope conformation with C(7) being the out-of-plane atom. The crystals are monoclinic, space group P21, with a = 8.099(5), b = 7.248(6), c = 13.317(4) Å, β = 102.74°, Z= 2. The structure was solved by the heavy atom method and refined by full matrix least squares calculations to an R value of 0.086 using 1 008 independent photographically recorded reflections. © Royal Society of Chemistry.
  • Published In

  • Perkin 2  Journal
  • Digital Object Identifier (doi)

    Author List

  • Narayana SVL; Shrivastava HN
  • Start Page

  • 1116
  • End Page

  • 1118
  • Issue

  • 7