view article
Figure 3
Potential energy (Ep) map as a function of the torsion angles C4—C3—O1—C1 (τ1) and C2—C1—O1—C3 (τ2) for the isolated DEE molecule, with Ep = 0 for the TT conformer. The conformers present in the crystalline state for β DEE (square), γ DEE (circle) and δ DEE (triangle) are indicated in yellow.

IUCrJ
Volume 11| Part 1| January 2024| Pages 57-61
ISSN: 2052-2525
https://doi.org/10.1107/S2052252523009995