Search results for "medicinal"

showing 10 items of 2966 documents

1,1′-[(2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene)]dipiperidine

2018

The asymmetric unit of the title compound, C22H36N2, comprises one half-molecule, the other half being generated by a center of inversion. The piperidine ring adopts a chair conformation, with the exocyclic N—C bond in an equatorial orientation. A short intramolecular C—H...N hydrogen bond occurs and forms an S(6) motif. No directional interactions beyond van der Waals contacts are observed between the molecules, which form a wave-like supramolecular architecture.

crystal structurebiologyHydrogen bondpiperidine-substituted dureneCyclohexane conformationCrystal structure010402 general chemistry010403 inorganic & nuclear chemistrybiology.organism_classificationRing (chemistry)01 natural sciencesMedicinal chemistry0104 chemical sciencesintramolecular C—H...N hydrogen bondsymbols.namesakechemistry.chemical_compoundchemistrysymbolslcsh:QD901-999TetraPiperidinelcsh:Crystallographyvan der Waals forceEne reactionIUCrData
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Crystal structure of chlorido(2-{[2-(4-chlorophenyl)hydrazin-1-ylidene-κN1](phenyl)methyl}pyridine-κN)(η5-pentamethylcyclopentadienyl)iridium(III) te…

2015

The title compound, [Ir(η5-C5Me5)Cl(C18H14ClN3)]B(C6H5)4, is chiral at the metal center and crystallizes as a racemate. In the cation, the hydrazinylidenepyridine ligand isN,N-coordinated through theN-pyridyl andN-hydrazinylidene groups forming a five-membered metallacycle. An intramolecular C—H...Cl hydrogen bond is observed. In the crystal, centrosymmetrically-related cations are connected by C—Cl...π interactions, forming a dimeric structure. The crystal packing is further stabilized by weak interionic C—H...π interactions.

crystal structurechemistry.chemical_elementNanotechnologyCrystal structureC—H⋯π inter­actionsintramolecular C—H...Cl hydrogen bondMedicinal chemistryhydrazinyl­idene­pyridine ligandpenta­methyl­cyclo­penta­dien­ylMetallcsh:Chemistrychemistry.chemical_compoundC—H...π interactionsPyridineGeneral Materials SciencepentamethylcyclopentadienylIridiumC—Cl...π interactionsbiologyLigandHydrogen bondintra­molecular C—H⋯Cl hydrogen bondiridium(III) complexGeneral ChemistryMetallacycleCondensed Matter Physicsbiology.organism_classificationData Reportshydrazinylidenepyridine ligandchemistrylcsh:QD1-999visual_artC—Cl⋯π inter­actionsvisual_art.visual_art_mediumTetraActa Crystallographica Section E: Crystallographic Communications
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N,1-Bis(4-ethoxyphenyl)-2,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide

2018

Condensation of ethyl acetoacetate and phenetidine gives the title compound, C24H26N2O4. The planar ethoxyphenyl group attached to the pyridine ring is twisted about 77.96 (11)° out of the plane of the N-ethoxycarboxamidopyridine unit. The carboxamide unit forms a dihedral angle of about 28.1 (2)° with the pyridine ring.

crystal structurehydrogen bondHydrogen bondChemistrymedicine.drug_classnicotinamideCarboxamideCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciencesMedicinal chemistryPhenetidine0104 chemical scienceschemistry.chemical_compoundPyridinemedicinelcsh:QD901-999lcsh:CrystallographyheterocycleIUCrData
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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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Crystal structure of 5-{3-[2,6-dimethyl- 4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl}- N-(11-hydroxyundecyl)isoxazole-3-carboxamide hemihydrate

2015

The crystal structure and supra­molecular features of 5-{3-[2,6-dimethyl-4-(5-methyl-1,2,4-oxa­diazol-3-yl)phen­oxy]prop­yl}-N-(11-hy­droxy­undec­yl)isoxazole-3-carboxamide hemihydrate, a derivative of anti­viral ‘WIN compounds’, are reported.

crystal structuremedicine.drug_classOxadiazoleCarboxamideNanotechnologyCrystal structureDihedral angleRing (chemistry)Medicinal chemistryResearch Communicationschemistry.chemical_compoundmedicinePeptide bondGeneral Materials ScienceIsoxazoleta116oxa­diazoleCrystallographyChemistryHydrogen bondWIN derivativeisoxazoleGeneral ChemistryCondensed Matter PhysicsantiviralQD901-999anti­viraloxadiazoleActa Crystallographica Section E : Crystallographic Communications
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Crystal structure of tricarbonyl(μ-diphenylphosphido-κ2P:P)(methyldiphenylsilyl-κSi)bis(triphenylphosphane-κP)iron(II)platinum(0)(Fe—Pt)

2015

The title compound belongs to the large family of heterodinuclear phosphide-bridged complexes. The Fe—Pt bond is of 2.7738 (4) Å and there is an unprecedented arrangement of the silyl ligand in a trans-position with respect to the metal–metal vector in the family of phosphide-bridged iron–platinum heterobimetallics.

crystal structuremetal–metal bondSilylationStereochemistrychemistry.chemical_elementCrystal structureMedicinal chemistryResearch Communicationslcsh:Chemistrychemistry.chemical_compoundphosphido bridges[CHIM]Chemical SciencesGeneral Materials Sciencediphenylmethylsilyl ligandComputingMilieux_MISCELLANEOUSdi­phenyl­methyl­silyl ligandLigandTricarbonGeneral ChemistryCondensed Matter Physics3. Good healthiron complexeslcsh:QD1-999chemistryheterobimetallicsPlatinumplatinum complexesActa Crystallographica Section E Crystallographic Communications
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Unexpected behaviour of copper(I) towards a tridentate Schiff base: Synthesis, structure and properties of new Cu(I)-Cu(II) and Cu(II) complexes

2001

cited By 17; International audience; The reaction of CuBr with 2,6-bis[1-(2,6-diisopropylphenylimino)ethyl]pyridine L afforded a new Cu(I)-Cu(II) derivative [CuBrL]2[Cu2Br4] (1), while the reaction of [Cu(CH3CN)4]PF6 with L in THF yielded the new Cu(I) compound CuL(THF)(CH3CN)PF6 (2). Derivative 2 further reacted with halogenated solvents to yield halogeno-Cu(II) salts, [CuClL]PF6 (3) using CHCl3 and [CuBrL]Br3 (4) using CHBr3. Compounds 1, 3 and 4 have been fully characterised by X-ray crystallography; they contain essentially similar [CuXL]+ cations with a square planar copper(II) co-ordination. However, the structure of compound 1 must be viewed as built of tetranuclear units since two […

crystal structurespectroscopysynthesisStereochemistry2chemistry.chemical_elementcyclic potentiometrypyridine derivativeCrystal structure010402 general chemistryElectrochemistry01 natural sciencesMedicinal chemistrysolventIonInorganic Chemistrychemistry.chemical_compoundSchiff basecopper derivativehalogenationPyridineMaterials Chemistry[CHIM]Chemical SciencesPhysical and Theoretical Chemistrychemical bondSchiff base010405 organic chemistryChemistry6 bis[2chemical interactionarticleanionX ray crystallographyCopperstructure analysis0104 chemical sciencescationunclassified drug6 diisopropylphenylimino)ethyl]pyridineelectrochemistryYield (chemistry)magnetismDerivative (chemistry)copper bromide
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Poly[1-ethyl-3-methylimidazolium [tri-μ-isothiocyanato-manganate(II)]]

2019

The title compound, {(C9H11N2)[Mn(NCS)3]} n , has been obtained as a side product of the salt metathesis reaction of 1-ethyl-3-methylimidazolium bromide, (EMIm)Br, and K2[Mn(NCS)4]. The structure consists of discrete 1-ethyl-3-methylimidazolium cations and an anionic two-dimensional network of manganese(II)-based complex anions, interconnected by thiocyanate ions. Every Mn2+ ion is coordinated by three S atoms of three NCS− ions and three N atoms of further three NCS− ions in a meridional octahedral fashion.

crystal structurethiocyanateThiocyanateManganatechemistry.chemical_elementThio-02 engineering and technologyCrystal structureManganese010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesMedicinal chemistry0104 chemical scienceschemistry.chemical_compoundnetwork structurechemistryBromideIonic liquidmanganeselcsh:QD901-999Salt metathesis reactionlcsh:Crystallography0210 nano-technologyionic liquidIUCrData
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Psychological Profile in Female Cyclists and Its Relationship with Age, Training Parameters, Sport Performance, and Injury Incidence.

2021

Previous studies have highlighted the importance of psychology on sports performance and its relationship with the incidence of sport injuries. The objectives of the present investigation were: (1) to analyze the psychological profile of female cyclists as a function of age, training parameters, sport performance, and injuries suffered and (2) to design a model to predict their psychological profile. Sixty-one female cyclists participated in the study. Differences were found as a function of a competitive category for team cohesion (F = 5.035

cyclingStress managementsports performanceHealth Toxicology and Mutagenesislcsh:MedicineDonesAthletic Performance01 natural sciencesArticle03 medical and health sciences0302 clinical medicineHumansRendiment (Esports)trainingIncidence (epidemiology)Incidencelcsh:RPublic Health Environmental and Occupational Health030229 sport sciencesEntrenament (Esport)0104 chemical sciences010404 medicinal & biomolecular chemistrypsychological profileAthletic InjuriesInjury incidenceFemalewomenPsychologycompetitionhuman activitiesClinical psychologyInternational journal of environmental research and public health
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Unusual Regioselectivity in the Opening of Epoxides by Carboxylic Acid Enediolates

2008

Addition of carboxylic acid dianions appears to be a potential alternative to the use of aluminium enolates for nucleophilic ring opening of epoxides. These conditions require the use of a sub-stoichiometric amount of amine (10% mol) for dianion generation and the previous activation of the epoxide with LiCl. Yields are good, with high regioselectivity, but the use of styrene oxide led, unexpectedly, to a mixture resulting from the attack on both the primary and secondary carbon atoms. Generally, a low diastereoselectivity is seen on attack at the primary center, however only one diastereoisomer was obtained from attack to the secondary carbon of the styrene oxide.

diastereoselectivity.Carboxylic acidCarboxylic AcidsPharmaceutical ScienceEpoxideMedicinal chemistryAnalytical Chemistrylcsh:QD241-441chemistry.chemical_compoundLactoneslcsh:Organic chemistryNucleophileStyrene oxideDrug DiscoveryOrganic chemistryPhysical and Theoretical Chemistrylithium chloridechemistry.chemical_classificationNucleophilic additionCommunicationOrganic ChemistryDiastereomerRegioselectivitydiastereoselectivitynucleophilic additionchemistryChemistry (miscellaneous)regioselectivityMolecular MedicineEpoxy CompoundsAmine gas treatingMolecules
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