CRYSTAL STRUCTURES OF TWO BICYCLIC ORGANIC MOLECULES

M. Brunelli¹, A. N. Fitch^{1, 2}, A. J. Mora^{2, 3}

¹European Synchrotron Radiation Facility, B.P. 220, F38043 Grenoble Cedex, France
²Department of Chemistry, Keele University, Staffordshire, ST5 5BG, United Kingdom
³Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida, Venezuela
brunelli@esrf.fr

Keywords: synchrotron radiation, powder diffraction, globular molecules

The crystal structures of the low-temperature phases of the globular molecules 1R-thiocamphor (C₁₀H₁₆S) and bicyclo[3.3.1]nonane-2,6-dione (C₉H₁₂O₂) have been studied at 90K and 85K, respectively, by high resolution powder X-ray diffraction using synchrotron radiation. The structure of thiocamphor is found to be orthorhombic, space group P2₁2₁2₁, with a= 9.052 A, b= 14.591 A, c= 7.291 A and Z= 4. The structure bicyclo[3.3.1]nonane-2,6-dione is monoclinic, space group C2/c, with a= 7.384 A, b= 10.387 A, c= 9.755 A and Z= 4.

The structures were solved by auto-indexing, then by intensity extraction and direct methods using the EXPO package.