Search results for " hydrogen"

showing 10 items of 319 documents

Crystal structure of isobutylammonium hydrogen oxalate hemihydrate

2014

In the title hydrated molecular salt, C4H12N+·C2HO4−·0.5H2O, the O atom of the water molecule lies on a crystallographic twofold axis. The dihedral angle between the CO2and CO2H planes of the anion is 18.47 (8)°. In the crystal, the anions are connected to each other by strong near-linear O—H...O hydrogen bonds. The water molecules are located between the chains of anions and isobutylamine cations; their O atoms participate as donors and acceptors, respectively, in O—H...O and N—H...O hydrogen bonds, which form channels (dimensions = 4.615 and 3.387 Å) arranged parallel to [010].

chemistry.chemical_classificationcrystal structureCrystallographyChemistryHydrogen bondmaterials engineeringSalt (chemistry)isobutylammonium hydrogen oxalate hemihydrateGeneral ChemistryCrystal structureDihedral anglehydrated mol­ecular salthydrogen bondingCondensed Matter PhysicsData ReportsAmmonium hydrogen oxalate hemihydrateIonCrystalhydrated molecular saltCrystallographyQD901-999AtomGeneral Materials Scienceiso­butyl­ammonium hydrogen oxalate hemihydrateActa Crystallographica Section E Structure Reports Online
researchProduct

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
researchProduct

Crystal structure of (E)-4-methoxy-2-{[(5-methylpyridin-2-yl)imino]methyl}phenol

2015

The molecule of the title Schiff base compound, C14H14N2O2, displays anEconformation with respect the imine C=N double bond. The molecule is approximately planar, with the dihedral angle formed by the planes of the pyridine and benzene rings being 5.72 (6)°. There is an intramolecular hydrogen bond involving the phenolic H and imine N atoms.

chemistry.chemical_classificationcrystal structureCrystallographySchiff baseDouble bondStereochemistryHydrogen bondintramolecular hydrogen bondImineintra­molecular hydrogen bondN-heterocycleGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsMedicinal chemistryData ReportsSchiff basechemistry.chemical_compoundchemistryQD901-999PyridineGeneral Materials ScienceBenzeneActa Crystallographica Section E Crystallographic Communications
researchProduct

Crystal structures of isomeric 3,5-dichloro-N-(2,3-dimethylphenyl)benzenesulfonamide, 3,5-dichloro-N-(2,6-dimethylphenyl)benzenesulfonamide and 3,5-d…

2017

The crystal structures of three isomeric compounds of formula C14H13Cl2NO2S, namely 3,5-dichloro-N-(2,3-dimethylphenyl)-benzenesulfonamide (I), 3,5-dichloro-N-(2,6-dimethylphenyl)benzenesulfonamide (II) and 3,5-dichloro-N-(3,5-dimethylphenyl)benzenesulfonamide (III) are described. The molecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3 (6)° in (I), 42.1 (2)° in (II) and 54.4 (3)° in (III). The molecular conformation of (II) is stabilized by intramolecular C—H...O hydrogen bonds and C—H...π interactions. The crystal structure of (I) features N—H...O hydrogen-bonded R 2 2(8) loops interconnected via C(7) chains of C—H...O interactions, forming a thre…

chemistry.chemical_classificationcrystal structureC—H...O interactionsCrystallography010405 organic chemistryHydrogen bondAromaticityGeneral ChemistryCrystal structure010403 inorganic & nuclear chemistryCondensed Matter Physics01 natural sciences0104 chemical sciencesSulfonamideCrystallographychemistry.chemical_compoundN—H...O hydrogen bondsC—H...π interactionschemistryQD901-999sulfonamidesπ–π interactionsGeneral Materials ScienceBenzeneActa Crystallographica Section E: Crystallographic Communications
researchProduct

(E)-1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one

2017

The molecule of the title compound C19H18O6, adopts anEconformation about the C=C double bond and the C—C=C—C torsion angle is −179.30 (16)°. The molecule is nearly planar, as indicated by the dihedral angle of 6.99 (6)° between the benzene ring and the benzodioxalane ring. In the crystal, molecules are linkedviaweak C—H...O hydrogen bonds, forming zigzag chains propagating along thebaxis.

chemistry.chemical_classificationcrystal structureDouble bondHydrogen bondCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciences0104 chemical sciencesCrystalchemistry.chemical_compoundCrystallographychemistryZigzagbis-chalconeweak C—H...O hydrogen bondslcsh:QD901-999lcsh:CrystallographyPhysics::Chemical PhysicsBenzeneIUCrData
researchProduct

Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters – diastereomeric control o…

2020

Twenty clusters of the general formula [(μ-H)2Ru3(μ3-S)(CO)7(μ-P–P*)] (P–P* = chiral diphosphine of the ferrocene-based Walphos or Josiphos families) have been synthesised and characterised. The clusters have been tested as catalysts for asymmetric hydrogenation of tiglic acid [trans-2-methyl-2-butenoic acid]. The observed enantioselectivities and conversion rates strongly support catalysis by intact Ru3 clusters. A catalytic mechanism involving an active Ru3 catalyst generated by CO loss from [(μ-H)2Ru3(μ3-S)(CO)7(μ-P–P*)] has been investigated by DFT calculations. peerReviewed

chemistry.chemical_classificationkarboksyylihapotCarboxylic acidAsymmetric hydrogenationDiastereomerTiglic acidasymmetric hydrogenationMedicinal chemistryCatalysisInorganic Chemistrychemistry.chemical_compoundchemistryFerroceneTransition metalkatalyysicarboxylic acidDalton Transactions
researchProduct

A Highly Enantioselective Access to Tetrahydroisoquinoline and β-Carboline Alkaloids with Simple Noyori-Type Catalysts in Aqueous Media

2009

chemistry.chemical_compoundAqueous mediumchemistryTetrahydroisoquinolineOrganic ChemistryEnantioselective synthesisOrganic chemistryGeneral ChemistryTransfer hydrogenationCatalysisCatalysisChemistry - A European Journal
researchProduct

Über die auslösung der polymerisation ungesättigter verbindungen durch aktivierten wasserstoff

1953

In Ubereinstimmung mit Wilson und Parravano wurde gefunden, das Methacrylsauremethylester, Acrylnitril, Acrylsaure und Acrylsauremethylester in wasriger Losung durch an der Kathode abgeschiedenen Wasserstoff polymerisiert werden. Die Reibenfolge der Wirksamkeit des Kathodenmaterials entspricht derjenigen der elektrolytischen Reduktion und der Uberspannungsreihe. Die Kathodische Polymerisation verlauft uber Radikale; sie kann durch molekularen Sauerstoff inhibiert werden. - Katalytisch erregter Wasserstoff (Pd-Katalysator) kann als Reduktionsmittel von Redoxsystemen Polymerisation von Acrylnitril und anderen Monomeren auslosen. Unter bestimmten Bedingungen erfolgen katalytische Hydrierung un…

chemistry.chemical_compoundAqueous solutionMonomerPolymerizationChemistryCathode materialPolymer chemistryCatalytic hydrogenationAcrylic acidDie Makromolekulare Chemie
researchProduct

Development of MR active contrast agents via Parahydrogen Induced Polarization

2009

Parahydrogen Induced Polarization provides dramatic MR signal enhancement that can be exploited for molecular imaging. This method allows amongst others for Magnetic Resonance Imaging of 13C and 15N, which is usually constrained by the low MR sensitivity of these nuclei. By combining hydrogenation of barbiturates with parahydrogen under special experimental conditions (PASADENA under pressure) with a polarization transfer sequence we demonstrate the transfer of the initial 1H polarization to 13C. The polarization transfer yields a signal increase for 13C of more than 1000. Hence, the role of certain target compounds such as anesthetics like the barbituric acid derivatives could be investiga…

chemistry.chemical_compoundNuclear magnetic resonanceBarbituric acidChemistryHexeneHexyneHyperpolarization (physics)Molecular imagingSpin isomers of hydrogenPolarization (waves)Induced polarization
researchProduct

Phospholylmethano P-chirogenic-phosphine-borane as P-(η2-BH3)-chelating ligands of rhodium (I): Synthesis, characterization and asymmetric hydrogenat…

2021

International audience; The stereoselective synthesis of new phospholylmethano P-chirogenic-phosphine-borane was achieved by P-C bond formation of the bridge, using electrophilic or nucleophilic P*-building blocks. These P1CH2P2*.BH3 ligands behaved as chelating (κ1-P1)-(η2-BH3) entities towards the cationic rhodium(I) centre. The resulting chiral rhodium complexes were tested in asymmetric rhodium catalyzed hydrogenation of methyl 2-(acetamido)acrylate.

chemistry.chemical_elementBorane010402 general chemistry01 natural sciencesBiochemistryMedicinal chemistryRhodiumCatalysisInorganic Chemistrychemistry.chemical_compoundNucleophileMaterials Chemistry[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical Chemistry010405 organic chemistryOrganic ChemistryAsymmetric hydrogenationCationic polymerizationStereoselective synthesis0104 chemical sciences3. Good healthP-chirogenic phosphine ligandCoordination chemistrychemistryAsymmetric hydrogenationElectrophilePhosphine
researchProduct