Search results for "Research Communications"

showing 10 items of 91 documents

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 and absolute configuration of (4S,5R,6S)-4,5,6-trihydroxy-3-methylcyclohex-2-enone (gabosine H)

2017

The absolute configuration of the title compound, determined as 4S,5R,6S on the basis of the synthetic pathway, was confirmed by single-crystal X-ray diffraction. The mol­ecule is formed by a substituted six-membered cyclo­hexene ring adopting an envelope conformation and substituted by carbonyl, methyl and hydroxyl groups. The supra­molecular structure is mainly built by a combination of O—H⋯O and weaker C—H⋯O hydrogen bonds.

crystal structurenatural productStereochemistryCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch Communicationschemistry.chemical_compoundChain (algebraic topology)Screw axisPerpendicularGeneral Materials ScienceEnvelope (waves)CrystallographyChemistryHydrogen bondAbsolute configurationGeneral ChemistryMitsunobu inversion reactionCondensed Matter Physics0104 chemical sciencesabsolute configurationCrystallographyQD901-999EnoneActa Crystallographica Section E Crystallographic Communications
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Crystal structure of [tris(4,4-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate

2016

In the title hydrated salt, which was obtained from the hydro­thermal reaction between between potassium 1,1,3,3-tetra­cyano-2-eth­oxy­propenide and 4,4′-bi­pyridine in the presence of iron(II) sulfate hepta­hydrate, the ionic components are linked into a three-dimensional network by C—H⋯N hydrogen bonds.

crystal structureStereochemistryIonic bondingmolecular structureCrystal structurehydro­thermal synthesis010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch Communicationslaw.inventionlcsh:Chemistrychemistry.chemical_compoundpolynitrile anionslawPyridineMoleculeGeneral Materials ScienceHydrothermal synthesisQDCrystallizationta215ta116mol­ecular structureHydrogen bondChemistryDASGeneral ChemistryCondensed Matter PhysicsQD Chemistryhydrogen bonding0104 chemical sciences44'-BipyridineCrystallographyhydrothermal synthesislcsh:QD1-999HydrateMolecular structure
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Crystal structure of the tetraaquabis(thiocyanato-kappa N)cobalt(II)-caffeine-water (1/2/4) co-crystal

2017

In the structure of the title compound, [Co(NCS)2(H2O)4]·2C8H10N4O2·4H2O, the cobalt metal lies on an inversion centre and is coordinated in a slightly distorted octa­hedral geometry. In the crystal, the complex mol­ecules inter­act with the caffeine mol­ecules through O—H⋯N, O—H⋯O, C–H⋯S hydrogen bonds and π–π inter­actions.

Hydrogen bondingSingle-crystal X-ray diffraction analysischemistry.chemical_elementThio-Crystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch CommunicationsCrystallcsh:ChemistryCaffeineGeneral Materials Science[CHIM.COOR]Chemical Sciences/Coordination chemistrybiologyHydrogen bondCrystal structureGeneral ChemistryCondensed Matter Physicsbiology.organism_classification3. Good health0104 chemical sciencesCrystallographyOxygen atomchemistrylcsh:QD1-999TetraCobalt
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Crystal structures of 2,2′-bipyridin-1-ium 1,1,3,3-tetracyano-2-ethoxyprop-2-en-1-ide and bis(2,2′-bipyridin-1-ium) 1,1,3,3-tetracyano-2-(dicyanometh…

2015

In each of the title compounds, the anion shows evidence of extensive electronic delocalization. A combination of N—H⋯N and X—H⋯N hydrogen bonds links the ions in (I) into a ribbon of alternating centrosymmetric (18) and (26) rings, and those in (II) into simple (7) chains of alternating cations and anion with further cations pendent from the chain.

Hydrogen bondingcrystal structurebipyridinium cationsCrystal structureDihedral angleRing (chemistry)Research CommunicationsIonchemistry.chemical_compoundDelocalized electronpolynitrile anionsPropaneQDGeneral Materials ScienceEthyl groupmol­ecular conformationta116Crystallographyta114Hydrogen bondCrystal structureDASGeneral ChemistryMolecular conformationhydrogen bondingQD ChemistryCondensed Matter PhysicsBipyridinium cationsCrystallographymolecular conformationMol­ecular conformationchemistryQD901-999Polynitrile anionsActa Crystallographica Section E Crystallographic Communications
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Crystal structure of 2-methyl-1H-imidazol-3-ium hydrogen oxalate dihydrate

2016

In the title mol­ecular salt 2-methyl-1H-imidazol-3-ium hydrogen oxalate dihydrate, N—H⋯(O,O) and O—H⋯O hydrogen bonds link the components into a bilayer-like assembly.

crystal structurecrystal structure organic salt monosubstituted imidazolium hydrogen oxalate hydrogen bonds monohydrateHydrogenOxalic acidInorganic chemistrychemistry.chemical_elementSalt (chemistry)Crystal structuremonosubstituted imidazolium010402 general chemistry010403 inorganic & nuclear chemistry[ CHIM ] Chemical Sciences01 natural sciencesOxalateResearch Communicationslaw.inventionCrystalchemistry.chemical_compoundlawmonohydrate[CHIM.CRIS]Chemical Sciences/Cristallography[CHIM]Chemical SciencesGeneral Materials ScienceCrystallizationComputingMilieux_MISCELLANEOUSchemistry.chemical_classificationCrystallographyHydrogen bondGeneral ChemistryCondensed Matter Physics0104 chemical sciences3. Good healthCrystallographychemistryQD901-999hydrogen bondsorganic salthydrogen oxalateActa Crystallographica Section E Crystallographic Communications
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Crystal structure of bis-(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tol-ylporphyrinato-κ(4) N)iron(III) perchlorate tetra-hydro-furan sesquisolvate.

2016

The crystal structure of the six-coordinate, highly ruffled, ferric porphyrinate bis­(2-methyl­imidazole)[meso-tetra­kis­(p-tol­yl)porphyrinato]iron(III) perchlorate is reported.

crystal structureStereochemistryCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistry2-methylimidazole01 natural sciencesResearch CommunicationsPerchloratechemistry.chemical_compoundhighly ruffled porphyrin coremeso-tetra­kis­(p-tol­yl)porphyrinatoImidazoleGeneral Materials ScienceCrystallography2-methyl­imidazoleLigandHydrogen bondGeneral ChemistryCondensed Matter Physicshydrogen bondingPorphyrinmeso-tetrakis(p-tolyl)porphyrinato0104 chemical sciencesBond lengthCrystallographychemistryQD901-999iron(III)Acta crystallographica. Section E, Crystallographic communications
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Crystal structure and Hirshfeld surface analysis of poly[[bis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium]…

2021

The complex nickel(II) anion comprises a pseudomacrocyclic hydrazide-based ligand with an L shape. In the crystal, such anions are connected with the potassium cations and the water solvent mol­ecules, forming a three-dimensional polymeric framework, which is stabilized by an extensive system of hydrogen bonds.

crystal structureCyclohexane conformationshape analysischemistry.chemical_elementCrystal structure010402 general chemistryRing (chemistry)01 natural sciencesResearch Communicationspseudomacrocyclic ligandchemistry.chemical_compoundtemplate reactionSHAPE analysisAmidehirshfeld surface analysisHirshfeld surface analysisGeneral Materials ScienceCrystallography010405 organic chemistryHydrogen bondnickel(ii) complexGeneral ChemistryCondensed Matter Physicsnickel(II) complex3. Good health0104 chemical sciencesTemplate reactionNickelCrystallographychemistryQD901-999Hydratehydrazide-based ligand
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Effect on gut microbiota of a 1-y lifestyle intervention with Mediterranean diet compared with energy-reduced Mediterranean diet and physical activit…

2021

ABSTRACT Background The Mediterranean diet is a well-recognized healthy diet that has shown to induce positive changes in gut microbiota. Lifestyle changes such as diet along with physical activity could aid in weight loss and improve cardiovascular risk factors. Objectives To investigate the effect of an intensive lifestyle weight loss intervention on gut microbiota. Methods This is a substudy of the PREDIMED-Plus (Prevención con Dieta Mediterránea-Plus), a randomized controlled trial conducted in overweight/obese men and women (aged 55–75 y) with metabolic syndrome. The intervention group (IG) underwent an intensive weight loss lifestyle intervention based on an energy-restricted Mediterr…

Male0301 basic medicineWeight lossMediterranean dietNutritional Status Dietary Intake and Body CompositionMedicine (miscellaneous)PhysiologyOverweightGut floraDiet MediterraneanAcademicSubjects/MED00160Feceschemistry.chemical_compound0302 clinical medicineWeight lossRNA Ribosomal 16SMedicinePhylogenyMetabolic SyndromeNutrition and DieteticsbiologyMiddle AgedOriginal Research CommunicationsRNA BacterialFemalemedicine.symptomEnergy restriction030209 endocrinology & metabolismGut microbiotaAcademicSubjects/MED0006003 medical and health sciencesMediterranean dietHumansObesityExerciseLife StyleAgedCaloric RestrictionBacteriabusiness.industryLachnospiraceaemedicine.diseasebiology.organism_classificationObesityGastrointestinal Microbiome030104 developmental biologychemistryGlycated hemoglobinMetabolic syndromeEnergy IntakebusinessThe American Journal of Clinical Nutrition
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Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-di­aqua­[2,5-bis­(pyridin-4-yl)-1,3,4-oxa­diazole]di­thio­c…

2019

The NiII atom in the mononuclear title complex has an almost regular octa­hedral N4O2 coordination geometry. In the crystal, the complex mol­ecules are linked in a three-dimensional network through strong O—H⋯N hydrogen bonds.

crystal structurespectroscopyThio-chemistry.chemical_elementcoordination complexCrystal structure010403 inorganic & nuclear chemistry01 natural sciencesCoordination complexResearch CommunicationsCrystalchemistry.chemical_compound134-oxadiazoleGeneral Materials Sciencethio­cyanatechemistry.chemical_classificationthiocyanateCrystallographyThiocyanate010405 organic chemistryHydrogen bondGeneral ChemistryHirshfeld analysisCondensed Matter Physics0104 chemical sciencesCrystallographyNickel134-oxa­diazolechemistryQD901-999hydrogen bondsDiazoleActa Crystallographica Section E: Crystallographic Communications
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