The low-temperature structures of bicyclo[3.3.1]nonan-9-one and 3-azabicyclo[3.2.2]nonane

Abstract

Abstract The ordered, low-temperature structures of two globular bicyclic organic compounds have been solved by direct methods and refined at 100 K from powder synchrotron X-ray diffraction data. Bicyclo[3.3.1]nonan-9-one, C9H14O, space group P21/n, Z = 4, a = 10.4097(3) Å, b = 11.4187(3) Å, c = 6.4964(2) Å, β = 90.992(1)°, V = 772.1 Å3. 3-Azabicyclo[3.2.2]nonane, C8H15N, space group Aba2, Z = 8, a = 21.1318(5) Å, b = 11.2357(3) Å, c = 6.0863(1) Å, V = 1445 Å3. Both structures display an efficient packing of molecules held together by intermolecular contacts between hydrogens and the oxygen or nitrogen atom, thus preventing the reorientation of the molecules.