Search results for "hexane"

showing 10 items of 467 documents

ChemInform Abstract: Iodine-Induced Stereoselective Carbocyclizations - A New Method for the Synthesis of Cyclohexane and Cyclohexene Derivatives.

1989

chemistry.chemical_compoundchemistryCyclohexaneCyclohexeneOrganic chemistrychemistry.chemical_elementStereoselectivityGeneral MedicineIodineChemInform
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Zur Struktur der Produkte der Reaktion vonE/Z-1-Benzolsulfonyl-3-(1-pentenyl)-indol mit N-Phenylmaleinimid: Ein erster Beitrag zur Konfigurations- un…

1988

The products2,3 of the reaction ofE/Z-1-benzenesulfonyl-3-(1-pentenyl)-indole (1) and N-phenylmaleimide were analysed by1H-NMR spectroscopy. Exemplarily, the structure elucidation of theendo-cyclo-adduct2 b was achieved by using several NMR techniques (diff. NOE-, INDOR-measurements, decoupling experiments, spectra simulation). The1H-NMR-spectroscopically gained prediction of relative configuration and conformation of2 b was supported on X-ray analysis. The cyclohexene ring of the new cycloadducts adopts in the liquid phase and in the crystal a slightly twisted boat conformation.

chemistry.chemical_compoundchemistryStereochemistryCyclohexane conformationProton NMRCyclohexeneLiquid phaseGeneral ChemistryX ray analysisRing (chemistry)Monatshefte f�r Chemie Chemical Monthly
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Crystal structure of 2-[chloro(4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-5,5-dimethylcyclohexane-1,3-dione

2016

One of the methyl groups and the 4-meth­oxy­phenyl substituent are in axial positions and the chloro­(4-meth­oxy­phen­yl)methyl substituent is in the equatorial position of the cyclo­hexane ring which adopts a chair conformation. The packing features inversion-symmetric dimeric units and strands along [100] and [010] established by weak C—H⋯O and C—H⋯Cl contacts.

crystal structure010405 organic chemistryStereochemistryCyclohexane conformationSubstituentweak C—H⋯O and C—H⋯Cl inter­actionsGeneral ChemistryCrystal structureMeth-010402 general chemistryCondensed Matter PhysicsRing (chemistry)01 natural sciencesResearch Communications0104 chemical sciencesweak C—H...O and C—H...Cl interactionsHexanelcsh:Chemistrychemistry.chemical_compoundchemistrylcsh:QD1-999General Materials ScienceActa Crystallographica Section E: Crystallographic Communications
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Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis(3,4,5-trimethoxyphenyl)piperidinium chloride

2018

The title compound was synthesized by a one-pot Mannich condensation reaction. In the crystal, centrosymmetric dimers are linked into layers parallel to (011) by N—H⋯Cl and C—H⋯Cl hydrogen bonds. A Hirshfeld surface analysis indicates that O—H (20.5%) inter­actions make the largest contribution to the crystal packing.

crystal structureCyclohexane conformationCrystal structure010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciencesMedicinal chemistryChlorideResearch CommunicationsCrystalchemistry.chemical_compoundMannich reactionmedicineHirshfeld surface analysisGeneral Materials ScienceBenzeneMannich reactionCrystallography010405 organic chemistryHydrogen bondChemistryGeneral ChemistryCondensed Matter Physics0104 chemical sciencesQD901-999piperidine-4-onemedicine.drugActa 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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Crystal structure of the bis(cyclohexylammonium) succinate succinic acid salt adduct

2015

The title salt adduct comprises two cyclo­hexyl­ammonium cations, one succinate anion and one mol­ecule of succinic acid, linked together through inter­molecular hydrogen-bonding inter­actions giving a two-dimensional layer-like self-assembly lying parallel to (010).

crystal structureDenticityStereochemistryCyclohexane conformationSalt (chemistry)cyclo­hexyl­ammonium cationCrystal structureMedicinal chemistryResearch CommunicationsAdductchemistry.chemical_compoundsuccinic acidGeneral Materials Sciencecyclohexylammonium cationchemistry.chemical_classificationCrystallographymolecular adductHydrogen bondChemistryGeneral ChemistryCondensed Matter PhysicssuccinateAmmonium SuccinateSuccinic acidQD901-999hydrogen bondsorganic saltmol­ecular adductActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of 4-(4-chlorophenyl)-6-(morpholin-4-yl)pyridazin-3(2H)-one

2015

In the crystal, pairs of centrosymmetrically related mol­ecules are linked into dimers via N—H⋯O hydrogen bonds, forming (8) ring motifs. The dimers are connected via C—H⋯O and C—H⋯Cl hydrogen bonds, forming a three-dimensional network·Semi-empirical mol­ecular orbital calculations were carried out using the AM1 method.

crystal structureHydrogen bondCyclohexane conformationStackingpi-pi stacking interactionsGeneral ChemistryCrystal structureDihedral anglehydrogen bondingCondensed Matter PhysicsRing (chemistry)Research Communicationslcsh:ChemistryCrystalchemistry.chemical_compoundCrystallographylcsh:QD1-999chemistryπ–π stacking interactionsMorpholineGeneral Materials Sciencepyridazinone derivativeπ–π stacking inter­actions
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Crystal structure of (E)-N-(3,4-di­meth­oxy­benzyl­idene)morpholin-4-amine

2014

In the title compound, C13H18N2O3, the benzene ring makes a dihedral angle of 17.19 (11)° with the least-squares plane formed by the four C atoms of the morpholine ring, which adopts a chair conformation. In the crystal, C—H...N hydrogen bonds link the molecules into supramolecular chains running along a 21screw axis parallel to theb-axis direction. Weak C—H...π interactions are also observed.

crystal structureHydrogen bondCyclohexane conformationSupramolecular chemistryGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsBioinformaticsRing (chemistry)hydrogen bondingC—H⋯π inter­actionsData Reportslcsh:ChemistryCrystalCrystallographychemistry.chemical_compoundC—H...π interactionslcsh:QD1-999chemistryMorpholineGeneral Materials ScienceSchiff basesC - H?? interactionsmorpholin-4-amineActa Crystallographica Section E: Structure Reports Online
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5,8,13,13-Tetrachloro-13H-dibenzo[a,i]fluorene cyclohexane hemisolvate

2019

In the crystal structure of the solvated pentacyclic title compound, C21H10Cl4·0.5C6H12, the pentacyclic chloroaromatic rings are arranged in parallel layers, with the chlorine atoms protruding from these planes. Channels orthogonal to these layers are filled with disordered cyclohexane molecules.

crystal structurebiology010405 organic chemistryChlorine atomchemistry.chemical_elementGeneral MedicineCrystal structuredisorderFluorene010402 general chemistrybiology.organism_classification01 natural sciencesMedicinal chemistry0104 chemical sciencesHexanechemistry.chemical_compoundchemistrychlorineChlorinelcsh:QD901-999Tetralcsh:Crystallographypolycyclic aromaticsIUCrData
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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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