Search results for " Hydrogen Bonding"

showing 7 items of 27 documents

Crystal structure of 4-[(adamantan-1-yl)amino]­naphthalene-1,2-dione

2019

The title compound, an example of a stable 1,2-naphtho­quinone, illustrates steric buttressing of the adamantanyl group.

Steric effectscrystal structureAdamantaneintra­molecular hydrogen bondingadamantanenaphthoquinoneAdamantaneCrystal structureN— HO hydrogen bonding010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch CommunicationsCrystallcsh:ChemistryDelocalized electronchemistry.chemical_compoundNaphthoquinoneGroup (periodic table)General Materials ScienceNaphthaleneintramolecular hydrogen bondingCrystal structurenaphtho­quinone548.81 Cristalografía estructuralIntramolecular hydrogen bondingGeneral ChemistryCondensed Matter PhysicsNaphthoquinone0104 chemical sciencesCrystallographychemistrylcsh:QD1-999N—H...O hydrogen bondingN—H⋯O hydrogen bondingActa Crystallographica Section E: Crystallographic Communications
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Crystal structure and Hirshfeld surface analysis of (E)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide

2020

The central thiazolidine ring of the title salt, C16H16N3S+center dot Br-, adopts an envelope conformation, with the C atom bearing the phenyl ring as the flap atom. In the crystal, the cations and anions are linked by N-H center dot center dot center dot Br hydrogen bonds, forming chains parallel to the b-axis direction. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H center dot center dot center dot H (46.4%), C center dot center dot center dot H/H center dot center dot center dot C (18.6%) and H center dot center dot center dot Br/Br center dot center dot center dot H (17.5%) interactions.

chemistry.chemical_classificationcrystal structureCrystallographyHydrogen bondIminiumSalt (chemistry)General ChemistryCrystal structureCondensed Matter::Mesoscopic Systems and Quantum Hall EffectCondensed Matter PhysicsRing (chemistry)Crystalchemistry.chemical_compoundCrystallographychemistryBromideQD901-999Atomcharge assisted hydrogen bondinghirshfeld surface analysisthiazolidine ringenvelope conformationGeneral Materials ScienceActa Crystallographica Section E: Crystallographic Communications
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Chiroptical Phenomena in Reverse Micelles: The Case of (1R,2S)- Dodecyl (2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium Bromide (DMEB)

2014

(1R,2S)-Dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB) aggregates dispersed in carbon tetrachloride have been investigated by Fourier transform infrared (FT-IR), vibrational circular dichroism (VCD) and 1H nuclear magnetic resonance (NMR) spectroscopy at various surfactant concentration and water-to-surfactant molar ratio. Experimental data indicate that, even at the lowest investigated concentration and in absence of added water, DMEBmolecules associate in supramolecular assemblies. At higherDMEBconcentration the aggregates can confine watermolecules,making it plausible to think thatDMEB form reverse micelles and that watermolecules are quite uniformly distributed…

confinement effects2S)-dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB)reverse micellegenetic structures(1RPGSE-NMR(1R; 2S)-dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB) reverse micelles confinement effects hydrogen bonding vibrational circular dichroism (VCD) PGSE-NMR(1R2S)-dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB)confinement effectreverse micellesvibrational circular dichroism (VCD)hydrogen bondingSettore CHIM/02 - Chimica Fisica
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Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-fluorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide

2019

TARAMAPUBMED TARAMASCOPUS TARAMAWOS In the cation of the title salt, C16H15FN3S+·Br−, the phenyl ring is disordered over two sets of sites with a refined occupancy ratio of 0.503 (4):0.497 (4). The mean plane of the thia­zolidine ring makes dihedral angles of 13.51 (14), 48.6 (3) and 76.5 (3)° with the fluoro­phenyl ring and the major- and minor-disorder components of the phenyl ring, respectively. The central thia­zolidine ring adopts an envelope conformation. In the crystal, centrosymmetrically related cations and anions are linked into dimeric units via N—H...Br hydrogen bonds, which are further connected by weak C—H...Br hydrogen bonds into chains parallel to [110]. Hirshfeld surface an…

crystal structureStackingCrystal structure010402 general chemistryRing (chemistry)01 natural sciencesCrystalHirshfeld surface analysis.chemistry.chemical_compoundBromideThia­zolidine ringcharge assisted hydrogen bondingHirshfeld surface analysisGeneral Materials ScienceBenzeneCrystallography010405 organic chemistryHydrogen bondIminiumdisorderGeneral ChemistryCondensed Matter::Mesoscopic Systems and Quantum Hall EffectCondensed Matter Physics0104 chemical sciencesCrystallographychemistryQD901-999thiazolidine ringActa Crystallographica Section E Crystallographic Communications
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Crystal structure of bis(cyclohexylammonium) diphenyldioxalatostannate(IV)

2015

In the title salt, (CyNH3)2[Sn(Ph2)(C2O4)2] (Cy is cyclo­hexyl and Ph is phen­yl), the SnPh2 moiety is chelated by two oxalate anions, leading to a cis arrangement within the distorted octa­hedral coordination sphere of the SnIV atom.

crystal structureStereochemistryOxalic acidcyclo­hexyl­ammoniumorganotin(IV) compoundSalt (chemistry)Crystal structureMedicinal chemistryOxalateResearch CommunicationsCrystalchemistry.chemical_compoundMoietyGeneral Materials ScienceCoordination geometrychemistry.chemical_classificationCrystallographycis arrangementHydrogen bondoxalate ligandsGeneral ChemistryCondensed Matter PhysicschemistryQD901-999N—H...O hydrogen bondingN—H⋯O hydrogen bondingcyclohexylammoniumActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of (E)-2-(tert-butyl­amino)-4-(tert-butyl­imino)­naphthalen-1(4H)-one

2018

The title compound is the first example of a naphtho­quinone imine derivative crystallizing in the 4-imine/2-amine tautomeric form having bulky tert-butyl substituents at the N atoms.

crystal structureintra­molecular hydrogen bondingIminenaphthoquinoneCrystal structure010402 general chemistry01 natural sciencesMedicinal chemistryResearch Communicationslcsh:Chemistrychemistry.chemical_compoundsymbols.namesakeGeneral Materials ScienceIntra­molecular hydrogen bondingAlkylchemistry.chemical_classificationintramolecular hydrogen bonding010405 organic chemistryHydrogen bondCrystal structurenaphtho­quinoneGeneral ChemistryCondensed Matter PhysicsTautomer0104 chemical scienceslcsh:QD1-999chemistryNaphtho­quinonesymbols540 QuímicaAmine gas treatingN—H...O hydrogen bondingvan der Waals forceDerivative (chemistry)N—H⋯O hydrogen bondingActa Crystallographica Section E: Crystallographic Communications
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Liquid Structure Scenario of the Archetypal Supramolecular Deep Eutectic Solvent: Heptakis(2,6-di-O-methyl)-β-cyclodextrin/levulinic Acid

2023

The concept of supramolecular solvents has been recently introduced, and the extended liquid-state window accessible for mixtures of functionalized cyclodextrins (CDs) with hydrogen bond (HB) donor species, e.g., levulinic acid, led to the debut of supramolecular deep eutectic solvents (SUPRA-DES). These solvents retain CD’s inclusion ability and complement it with enhanced solvation effectiveness due to an extended HB network. However, so far, these promising features were not rationalized in terms of a microscopic description, thus hindering a more complete capitalization. This is the first joint experimental and computational study on the archetypal SUPRA-DES: heptakis- (2,6-di-O-methyl)…

supramolecular hydrogen bonding low melting mixtures cyclodextrin solvationSettore CHIM/02 - Chimica Fisica
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