Search results for "chalcogen bond"

showing 4 items of 4 documents

Definition of the chalcogen bond (IUPAC Recommendations 2019)

2019

Abstract This recommendation proposes a definition for the term “chalcogen bond”; it is recommended the term is used to designate the specific subset of inter- and intramolecular interactions formed by chalcogen atoms wherein the Group 16 element is the electrophilic site.

chalcogen bond; IUPAC Organic and Biomolecular Chemistry Division; IUPAC Physical and Biophysical Chemistry Division; nomenclature; noncovalent interactions; self-assembly; supramolecular chemistryGeneral Chemical EngineeringChemical nomenclature010402 general chemistrynoncovalent interaction01 natural sciencessupramolecular chemistrykemialliset sidoksetnoncovalent interactionsChalcogenGroup (periodic table)supramolekulaarinen kemiaNon-covalent interactionsIUPAC Organic and Biomolecular Chemistry DivisionIUPAC Physical and Biophysical Chemistry Divisionchalcogen bondchemistry.chemical_classification010405 organic chemistryChemistryBondSolid State & Structural Chemistry Unitself-assemblyGeneral Chemistry0104 chemical sciencesTerm (time)ChemistryCrystallographyIntramolecular forcenimikkeistötnomenclaturePure and Applied Chemistry
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Binding motif of ebselen in solution: Chalcogen and hydrogen bonds team up

2020

Ebselen (2-phenyl-1,2-benzoselenazol-3(2H)one), a glutathione peroxidase mimic, is active against several RNA viruses, among others the retrovirus responsible for the COVID-19 pandemic. In this paper 77Se and 1H NMR studies of ebselen are reported and they identify the chalcogen bond (ChB) and hydrogen bond (HB) that are central in the landscape of interactions formed by the compound in solution. The selenium atom and the hydrogen atom at the C7 carbon act as ChB and HB donors and the O and N atoms of neutral molecules function as acceptors. The ChB and HB give rise to a bifurcated supramolecular synthon, which fastens the interaction acceptor opposite to the N–Se covalent bond of the selen…

chemistry.chemical_classificationStereochemistryEbselenHydrogen bondSynthonSupramolecular chemistryGeneral ChemistryCatalysisdrugssupramolecular chemistrychemistry.chemical_compoundChalcogenchemistrycovid-19Covalent bondMaterials ChemistryThiolMoleculeselenium drugs covid-19 chalcogen bond supramolecular chemistryseleniumchalcogen bond
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Intramolecular 1,5-S...N σ-hole interaction in (E)-N′-(pyridin-4-ylmethylidene)thiophene-2-carbohydrazide

2020

The hydrazide-hydrazone forms inverse dimers via hydrogen bonding, but its conformation is defined by the presence of an intra­molecular chalcogen bond. Electrostatic forces dominate in the crystal packing and give rise to a layered supra­molecular structure.

crystal structurehirshfeld surfaceDouble bondImineStackingCrystal structureCarbohydrazide010402 general chemistryRing (chemistry)01 natural sciencesResearch Communicationsenergy frameworkslcsh:Chemistrychemistry.chemical_compoundchalcogen bondingGeneral Materials Sciencechemistry.chemical_classificationQuantitative Biology::Biomoleculesintermolecular interaction energies010405 organic chemistryHydrogen bondGeneral Chemistryinter­molecular inter­action energieshydrogen bondingCondensed Matter Physics4-pyridinecarboxaldehyde 2-thienyl hydrazone0104 chemical sciencesCrystallographylcsh:QD1-999chemistry4-pyridine­carboxaldehyde 2-thienyl hydrazoneMonoclinic crystal systemActa Crystallographica Section E Crystallographic Communications
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The S … Hal and Se … Hal chalcogen bonding in a series of thiourea, selenourea and their derivatives

2021

The chalcogen bonding (ChB) in a series of thiourea, selenourea and their derivatives has been investigated in the present paper. Thus, selenourea and dimethylselenourea undergo dimerization and trimerization processes in the presence of various halogen species (1–5). Selenourea and dimethylselenourea form trimers 3–4 in the presence of lighter halogens (chlorine and bromine) through Se⋯Se chalcogen bonding. When moving to heavier halogen (iodine), the dimers 1–2 are formed. Thiourea and its derivatives also tend to make very strong S⋯S bonds and form dimers in the case of lighter halogens chlorine and bromine (compounds 6–7). However, the monomers separated by the iodine species are formed…

kemiaSelenoureachemistry.chemical_element02 engineering and technologyCrystal structure010402 general chemistry01 natural sciencesInorganic Chemistryjodichemistry.chemical_compoundChalcogenkemialliset sidoksetklooriPolymer chemistryMaterials ChemistryChlorinechalcogen bondingbromiPhysical and Theoretical ChemistryselenoureathioureaBrominehalogeenitChemistry021001 nanoscience & nanotechnologyCondensed Matter Physicshalogen0104 chemical sciencesElectronic Optical and Magnetic MaterialsMonomerThioureaHalogenCeramics and Composites0210 nano-technology
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