The title compound 1,4-(E,E)-diphenylbutadiene crystallizes in the space group P21/n, and the structure contains three independent molecules A-C with modest twisting about the C-Ph bonds. Each molecule engages in two double face-to-face contacts and in four double T-contacts of a new type. These arene-arene interactions form two-dimensional layers that are stacked in the third dimension. In the new double T-contact, both arenes of each laterally off-set spacer-connected diarene serve as faces or edges in each contact. The occurrence of either one independent molecule (A) in two orientations (+A and -A) or of two independent molecules (B and C) results in two diastereoisomeric double T-contacts in each layer. Molecule A is asymmetric and forms enantiomeric (-A+A) and (-A'+A') layers. The alternation between layers with different pairs of diastereosiomeric double T-contacts allows for reduced surface-matching and better van der Waals interactions between the surfaces of the -A+A (-A'+A') layers and the BC layers.
- 1,4 Diphenyl 1,3 Butadiene,
- Alkene Derivative,
- Polycyclic Aromatic Hydrocarbon,
- Unclassified Drug,
- Ab Initio Calculation,
- Chemical Bond,
- Crystal Structure,
- Crystallization,
- Diastereoisomer,
- Molecular Interaction,
- Molecule,
- Surface Property
Available at: http://works.bepress.com/rainer-glaser/23/