We discover the presence of local van der Waals (vdW) interactions at the cis amide bond in crystals of isobutyroyl–Pro–Val–OMe. By expanding this interaction volume, we demonstrate a corresponding sigmoidal increase in cis amide stabilization by up to −0.24 kcal mol−1. These vdW interactions exhibit a 60% contribution towards similar CH⋯π interaction energies.
S. K. Gupta, S. Banerjee and E. N. Prabhakaran, New J. Chem., 2022, 46, 12470 DOI: 10.1039/D2NJ01457B
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