Crystal structures of R-thiocamphor

Abstract

The crystal structure of the globular organic molecule R-thiocamphor (C₁₀H₁₆S) has been studied at ambient and low temperatures by high resolution powder X-ray diffraction using synchrotron radiation. At around 260 K thiocamphor transforms on cooling to an ordered orthorhombic structure from the orientationally-disordered body-centered cubic phase with a = 8.1477(1)Å at room temperature. The structure of the low-temperature phase was solved by auto-indexing, then by intensity extraction and direct methods using the EXPO package and refined by the Rietveld Method. The low temperature structure has a = 9.0490(1)Å, b = 14.5887(3)Å, c = 7.2931(1)Å, space group P2₁2₁2₁, Z = 4, ρ_calc = 1.161 g cm^-3.

Published Online: 2009-9-25

Published in Print: 2002-2-1