Bifurcated Ipi and IO[double bond, length as m-dash]C halogen bonding interactions assist in formation of unique iodo-arene trimers leading to nanoscale channels in inclusion complexes of trimesic acid iodophenolate.

The title carbamate monohydrates, C13H12N2O2·H2O and C12H9BrN2O2·H2O, form isomorphous crystals that are isostructural in their primary hydrogen-bonding modes. In both carbamates, the primary hydrogen bonding and aggregation involves cyclic amide-water-pyridine moieties as (N-H⋯O-H⋯N)2 dimers about inversion centres [as R 4 (4)(14) rings], where the participation of strong hydrogen-bonding dono...

Six novel halogen-bonded cocrystals of 1,3,5-triiodo-2,4,6-trifluorobenzene with three structural isomers benzoylpyridine have been synthesized mechanochemically and by crystallization from solution, five which were structurally characterized. In four cocrystals, is a ditopic halogen-bond acceptor participating in halogen bonding both pyridine nitrogen carbonyl oxygen atoms, while one cocrystal...

this study was designed to evaluate the effect of argon laser irradiation on development and progress of enamel demineralization around orthodontic brackets.fifty caries-free, intact human premolars were randomly assigned to one of the following five equal groups: groups 1 (control) and 2: the brackets were bonded using conventional halogen light for 40s and argon laser for 10s, respectively. t...

Supramolecular transmembrane anion transporters are promising therapeutics for channelopathies and typically operate via hydrogen bonding. Sigma-hole interactions including halogen bonding (XB), chalcogen (ChB), pnictogen (PnB) have emerged as alternatives in both transport activity selectivity. This forum highlights recent advances identifies properties unique to sigma-hole interactions.

Co-crystallisation of, in particular, 4-iodotetrafluorophenol with a series of secondary and tertiary cyclic amines results in deprotonation of the phenol and formation of the corresponding ammonium phenate. Careful examination of the X-ray single-crystal structures shows that the phenate anion develops a C=O double bond and that the C-C bond lengths in the ring suggest a Meissenheimer-like del...

In this manuscript, we combined DFT (Density Functional Theory) calculations (BP86-D3/def2-TZVP level of theory) and a search in the CSD (Cambridge Structural Database) to analyze the role of halogen–halogen interactions in the crystal structure of fullerene halides. We have used a theoretical model of a halogenated C60 and evaluated the formation of halogen–halogen complexes between F, Cl, Br ...

A detailed (1)H-NMR study of the anion binding properties of the 2-iodo-imidazolium receptor 1 in DMSO allows to fully attribute the observed affinities to strong charge-assisted C-I···X(-) halogen bonding (XB). Stronger binding was observed for oxoanions over halides. Phosphate, in particular, binds to 1 with an association constant of ca. 10(3) M(-1), which is particularly high for a single X...

The title compound, {(C(8)H(20)N(2))[PbCl(4)]}(n), crystallizes as an layered inorganic-organic hybrid perovskite-type structure. Corner-sharing PbCl(6) octa-hedra extend parallel to the ac plane. Adjacent layers are staggered relative to one another, with diammonium cations separating these layers. The cations exhibit symmetry and inter-act with the inorganic sheets via N-H⋯Cl hydrogen bonding...

The performance of local correlation methods is examined for the interactions present in clusters of bromine with water where the combined effect of hydrogen bonding (HB), halogen bonding (XB), and hydrogen-halogen (HX) interactions lead to many interesting properties. Local methods reproduce all the subtleties involved such as many-body effects and dispersion contributions provided that specif...