Ortho‐Substituent Effects on Halogen Bond Geometry for N‐Haloimide⋯2‐Substituted Pyridine Complexes

Abstract The nature of (imide)N–X⋯N(pyridine) halogen‐bonded complexes formed by six N‐haloimides and sixteen 2‐substituted pyridines are studied using X‐ray crystallography (68 crystal structures), Density Functional Theory (DFT) (86 complexation energies), and NMR spectroscopy (90 association cons...

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Bibliographic Details

Published in:	Advanced Science
Main Authors:	Shilin Yu, J. Mikko Rautiainen, Parveen Kumar, Lorenzo Gentiluomo, Jas S. Ward, Kari Rissanen, Rakesh Puttreddy
Format:	Article
Language:	English
Published:	Wiley 2024-02-01
Subjects:	halogen bond haloimide ortho saccharin sigma hole
Online Access:	https://doi.org/10.1002/advs.202307208