Studies on the Chlorinated α-Santonins. II. The Crystal and Molecular Structure of 14-Chlorosantonin

Abstract

The crystal structure of monochlorosantonin, C₁₅H₁₇CIO₃ has been determined in order to elucidate the molecular structure. The crystals are orthorhombic with space group P2₁2₁2₁ and the unit-cell dimensions are a=11.180Å, b=13.894Å, c=9.211Å, Z=4. The crystal structure was solved by the heavy-atom method and the atomic parameters were refined to a final R value of 0.076 for 842 reflexions. From the analytical data the compound was confirmed to be 14-chlorosantonin (I).