Hydrogen bonding vs. halogen bonding: the solvent decides

CC Robertson, JS Wright, EJ Carrington, RN Perutz… - Chemical …, 2017 - pubs.rsc.org
Control of intermolecular interactions is integral to harnessing self-assembly in nature. Here
we demonstrate that control of the competition between hydrogen bonds and halogen …

Chalcogen-Bonded Cocrystals of Substituted Pyridine N-Oxides and Chalcogenodiazoles: An X-ray Diffraction and Solid-State NMR Investigation

Y Xu, V Kumar, MJZ Bradshaw… - Crystal Growth & Design, 2020 - ACS Publications
We introduce methyl, methoxy, and phenyl substituents at the para-, meta-, and ortho-
positions of pyridine N-oxide to investigate the effect of chemical substitution on the resulting …

Selective Sensing of Phosphates by a New Bis‐heteroleptic RuII Complex through Halogen Bonding: A Superior Sensor over Its Hydrogen‐Bonding Analogue

B Chowdhury, S Sinha, P Ghosh - Chemistry–A European …, 2016 - Wiley Online Library
The selective phosphate‐sensing property of a bis‐heteroleptic RuII complex, 1 [PF6] 2,
which has a halogen‐bonding iodotriazole unit, is demonstrated and is shown to be superior …

Evaluating Halogen-Bond Strength as a Function of Molecular Structure Using Nuclear Magnetic Resonance Spectroscopy and Computational Analysis

QM Dang, JH Simpson, CA Parish… - The Journal of Physical …, 2021 - ACS Publications
Halogen bonding (XB) is a highly directional, non-covalent intermolecular interaction
between a molecule (XB donor) presenting a halogen with an electron-deficient region or …

Engaging the terminal: promoting halogen bonding interactions with uranyl oxo atoms

KP Carter, M Kalaj, RG Surbella III… - … A European Journal, 2017 - Wiley Online Library
Engaging the nominally terminal oxo atoms of the linear uranyl (UO22+) cation in non‐
covalent interactions represents both a significant challenge and opportunity within the field …

Competition between hydrogen bonds and halogen bonds: a structural study

JC Gamekkanda, AS Sinha, J Desper… - New Journal of …, 2018 - pubs.rsc.org
The competition and balance between intermolecular hydrogen bonds (HBs) and halogen
bonds (XBs) were explored by co-crystallizing tetra-functionalized (2× HB (–OH) and 2× XB …

Toward a reverse hierarchy of halogen bonding between bromine and iodine

E Aubert, E Espinosa, I Nicolas, O Jeannin… - Faraday …, 2017 - pubs.rsc.org
We compare here the halogen bond characteristics of bimolecular adducts involving either
N-bromo-or N-iodosaccharin as strong halogen bond donors, with 4-picoline as a common …

Mechanochemistry and cocrystallization of 3-iodoethynylbenzoic acid with nitrogen-containing heterocycles: concurrent halogen and hydrogen bonding

PMJ Szell, J Dragon, S Zablotny, SR Harrigan… - New Journal of …, 2018 - pubs.rsc.org
Halogen bonding has been shown to be a versatile interaction for crystal engineering
purposes, with characteristics that parallel those of hydrogen bonding. Here, we explore the …

Imine-benzoic acid cocrystals as a tool to study intermolecular interactions in schiff bases

E Jaime-Adán, JM Germán-Acacio… - Crystal Growth & …, 2020 - ACS Publications
Through experimental and computational studies we were able to prove that the hydrogen
atom of the imine group forms structurally relevant C–H··· F hydrogen bonds and that the …