The aim of this study is to describe and compare the supramolecular interactions, in the solid state, of chloro-, bromo-, and iodobenzothiophene diols. The compounds were obtained through organo-catalyzed reactions starting from 3-substituted halobenzothiophene carbaldehydes. Energies of the noncovalent interactions were obtained by density functional theory calculations. Bond distances and ang...

A novel halogen bonding bis(iodotriazole)-imidazolium axle containing [2]rotaxane is capable of strong halide and sulfate binding in highly competitive aqueous–organic solvent mixtures.

While an IUPAC definition for hydrogen bonding was only released in 2011 after decades of discussions in the scientific community (Arunann et al., 2011), it did not take such a long time to come up with an analogous definition of halogen bonding (Desiraju et al., 2013), following a revival of this interaction in the literature, which can be traced back to the early 1990s. The identification of ...

Halogen bonding (HB) has emerged as a promising route for designing supramolecular assemblies due to its directional nature and versatility in modifying interactions through the choice of halogens molecular...

The title compound, {(C(8)H(20)N(2))[PbBr(4)]}(n), crystallizes as an inorganic-organic hybrid with alternating layers of diammonium cations and two-dimensional corner-sharing PbBr(6) octa-hedra extending parallel to the bc plane, which are eclipsed relative to one another. Both PbBr(6) octa-hedra and the organic cation exhibit symmetry. The cations inter-act via N-H⋯Br hydrogen bonding in the ...

There is a growing understanding in the scientific community that current scientific and technological challenges can only be efficiently met in a collaborative atmosphere and using multidisciplinary approaches. The field of halogen bonding became not just a hot research area, but also one known for its friendly openness to various scientific fields and approaches that may provide an improved u...

The title compound, {(C(8)H(20)N(2))[PbI(4)]}(n), is an inorganic-organic hybrid. The structure is composed of alternate layers of two-dimensional corner-sharing PbI(6) octa-hedra ( symmetry) and 1,4-bis-(ammonio-meth-yl)cyclo-hexane cations ( symmetry) extending parallel to the bc plane. The cations inter-act with the inorganic layer via N-H⋯I hydrogen bonding in the right-angled halogen sub-t...

Halogen bonding in ligand-protein complexes is currently widely exploited, e.g. in drug design or supramolecular chemistry. But little attention has been directed to other effects that may result from replacement of a hydrogen by a strongly electronegative halogen. Analysis of almost 30000 hydrogen bonds between protein and ligand demonstrates that the length of a hydrogen bond depends on the t...

Halogen bonding is a noncovalent interaction between the electrophilic region of a halogen (σ-hole) and an electron donor. We report a crystallographic and structural analysis of halogen-bonded compounds by applying a combined X-ray diffraction (XRD) and solid-state nuclear magnetic resonance (SSNMR) approach. Single-crystal XRD was first used to characterize the halogen-bonded cocrystals forme...