Octahydroanthracenedicarbonitrile is monoclinic, space group P21/c, at 172 K, a = 4.723(7), b = 8.254(3), c = 16.190(7) Å, β = 91.76(8)o, Z = 2, V = 630.8(12) Å3. The molecule, located on a center of symmetry, is disordered between the two senses of puckering in the aliphatic ring. The structure was also determined at 216, 256, and 297 K. The disorder increases with increasing temperature and can be described by a van't Hoff relationship with ΔH = 5.2(3) kJ mol-1 and ΔS = 13.8(12) J K-1 mol-1.
- Enthalpy and entropy of disorder
- Packing effects