Conformational and packing energy calculations for isotactic poly(vinylcyclohexane): Crystal structure of form I

The polymorphic behavior of poly(vinylcyclohexane) is discussed on the basis of conformational energy calculations on an isolated chain. The presence of two different modifications is in accordance with the energy minima present in the conformational energy maps. The packing of the chains in form I is analyzed on the basis of packing energy and structure factor calculations