Author: Aleksandara Piontek

0000000001196992

AUTHOR

Aleksandara Piontek

Barriers to rotation in ortho-substituted tertiary aromatic amides: Effect of chloro-substitution on resonance and distortion

Planarity of the amide bond represents one of the most widely recognized properties of amides. Herein, we report a combined structural and computational study on the effect of ortho-substitution on resonance and barriers to rotation in tertiary aromatic amides. We demonstrate that ortho-chloro substitution in a class of benzamides that are important from the reactivity and medicinal chemistry perspective results in increased barriers to rotation around both the N-C(O) and C-C(O) axes. The effect of steric hindrance on structures, resonance energies, barriers to rotation, and proton affinities is discussed. The present study strongly supports the use of ortho-substitution in common benzamide…

research product

CCDC 1534466: Experimental Crystal Structure Determination

Related Article: Elwira Bisz, Aleksandara Piontek, Błażej Dziuk, Roman Szostak and Michal Szostak|2018|J.Org.Chem.|83|3159|doi:10.1021/acs.joc.8b00019

research product

CCDC 1534465: Experimental Crystal Structure Determination

Related Article: Elwira Bisz, Aleksandara Piontek, Błażej Dziuk, Roman Szostak and Michal Szostak|2018|J.Org.Chem.|83|3159|doi:10.1021/acs.joc.8b00019

research product

CCDC 1538098: Experimental Crystal Structure Determination

Related Article: A. Piontek, E. Bisz, B. Dziuk, R. Szostak, M. Szostak|2018|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|74|1395|doi:10.1107/S2053229618013463

research product

PEPhysical Sciences and Engineering
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