2024
DOI: 10.1002/cplu.202400055
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Competitive Intramolecular Hydrogen Bonding: Offering Molecules a Choice

Yu Sun,
Evelyn R. Morton,
Hunaida Bhabha
et al.

Abstract: The conformational preferences of N‐((6‐methylpyridin‐2‐yl)carbamothioyl)benzamide were studied in solution, the gas phase and the solid state via a combination of NMR, density functional theory (DFT) and single crystal X‐ray techniques. This acyl thiourea derivative can adopt two classes of low energy conformation, each stabilized by a different 6‐membered intramolecular hydrogen bond (IHB) pseudoring. Analysis in different solvents revealed that the conformational preference of this molecule is polarity depe… Show more

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