Search results for "CRYSTAL STRUCTURE"

showing 10 items of 15036 documents

CCDC 1817831: Experimental Crystal Structure Determination

2018

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

ethyl 27-bis{[(4-nitrophenyl)carbamoyl]amino}octahydronaphthalene-4a(2H)-carboxylate tetrahydrofuran solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1415863: Experimental Crystal Structure Determination

2016

Related Article: Moritz Schubert, Kathrin Wehming, Anton Kehl, Martin Nieger, Gregor Schnakenburg, Roland Fröhlich, Dieter Schollmeyer, Siegfried R. Waldvogel|2016|Eur.J.Org.Chem.|2016|60|doi:10.1002/ejoc.201501384

ethyl 2-(benzyloxy)-5'6'-dimethoxy-4-oxospiro[cyclohexa-25-diene-11'-indene]-3'-carboxylateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1814087: Experimental Crystal Structure Determination

2018

Related Article: Attila Márió Remete, Melinda Nonn, Santos Fustero, Matti Haukka, Ferenc Fülöp, Loránd Kiss|2018|Eur.J.Org.Chem.|2018|3735|doi:10.1002/ejoc.201800057

ethyl 2-[(benzenecarbonyl)amino]-4-(difluoromethyl)cyclopent-3-ene-1-carboxylateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1814088: Experimental Crystal Structure Determination

2018

Related Article: Attila Márió Remete, Melinda Nonn, Santos Fustero, Matti Haukka, Ferenc Fülöp, Loránd Kiss|2018|Eur.J.Org.Chem.|2018|3735|doi:10.1002/ejoc.201800057

ethyl 2-[(benzenecarbonyl)amino]-4-(difluoromethyl)cyclopent-3-ene-1-carboxylateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 984448: Experimental Crystal Structure Determination

2014

Related Article: Santos Fustero, Javier Miró, María Sánchez-Roselló, Carlos del Pozo|2014|Chem.-Eur.J.|20|14126|doi:10.1002/chem.201403340

ethyl 2-acetamido-2-(trifluoromethyl)pent-4-ynoateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 178473: Experimental Crystal Structure Determination

2002

Related Article: M.Horacek, P.Stepnicka, S.Gentil, K.Fejfarova, J.Kubista, N.Pirio, P.Meunier, F.Gallou, L.A.Paquette, K.Mach|2002|J.Organomet.Chem.|656|81|doi:10.1016/S0022-328X(02)01562-0

exoexo-(eta^2^-bis(trimethylsilyl)ethyne)-bis(eta^5^-4567-tetrahydro-47-methano-2-(trimethylsilyl)-indenyl)-titanium(ii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Synthesis, structure and photophysical properties of a highly luminescent terpyridine-diphenylacetylene hybrid fluorophore and its metal complexes

2014

A new fluorescent terpyridyl-diphenylacetylene hybrid fluorophore 4'-[4-{(4-methoxyphenyl)ethynyl}phenyl]-2,2':6',2''-terpyridine, L, was synthesized via Sonogashira cross-coupling of 4'-(4-bromophenyl)-2,2':6',2''-terpyridine and 4-ethynylanisole in the presence of Pd(PPh3)4/CuI as a catalyst. The solid state structure of L shows a trans arrangement of pyridine nitrogen atoms along the interannular bond in the terpyridine domain. Five transition metal complexes of L, {[FeL2](CF3SO3)2 (1), [ZnL2](ClO4)2 (2), [CdL2](ClO4)2 (3), [RuL2](PF6)2 (4), and PtMe3IL (5)}, have also been synthesized and characterized by spectroscopic methods and single crystal X-ray analysis. The X-ray crystal structu…

fluorophoreDenticityterpyridiinisynthesisQuantum yieldmetal complexesCrystal structure010402 general chemistryPhotochemistry01 natural sciencesInorganic Chemistrycrystal structureschemistry.chemical_compoundPyridineta116Diphenylacetylenephotophysical properties010405 organic chemistryLigandterpyridinekiderakenteet0104 chemical sciencesCrystallographyfluoroforitchemistryIntramolecular forcevalofysikaaliset ominaisuudetTerpyridinevalmistusmetallikompleksitDalton Transactions
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Synthesis, structure and photophysical properties of a highly luminescent terpyridine-diphenylacetylene hybrid fluorophore and its metal complexes

2015

A new fluorescent terpyridyl-diphenylacetylene hybrid fluorophore 4′-[4-{(4-methoxyphenyl)ethynyl}phenyl]-2,2′:6′,2′′-terpyridine, L, was synthesized via Sonogashira cross-coupling of 4′-(4-bromophenyl)-2,2′:6′,2′′-terpyridine and 4-ethynylanisole in the presence of Pd(PPh3)4/CuI as a catalyst. The solid state structure of L shows a trans arrangement of pyridine nitrogen atoms along the interannular bond in the terpyridine domain. Five transition metal complexes of L, {[FeL2](CF3SO3)2 (1), [ZnL2](ClO4)2 (2), [CdL2](ClO4)2 (3), [RuL2](PF6)2 (4), and PtMe3IL (5)}, have also been synthesized and characterized by spectroscopic methods and single crystal X-ray analysis. The X-ray crystal structu…

fluorophorecrystal structuresfluoroforitterpyridiinivalofysikaaliset ominaisuudetmetal complexessynteesiterpyridinevalmistusmetallikompleksitphotophysical propertieskiderakenteet
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One-pot synthesis of fluorinated 2-amino-pyrimidine-N-oxides. Competing pathways in the four-atom side-chain rearrangements of 1,2,4-oxadiazoles

2006

Abstract Trifluoromethylated 2-amino-pyrimidine N-oxides have been synthesized by reaction of the 3-amino-5-methyl-1,2,4-oxadiazole with trifluoromethyl-β-diketones in the presence of perchloric acid, followed by hydrolysis. In this ring-to-ring transformation an initial formation of (unisolated) 1,2,4-oxadiazole-pyrimidinium salts, and subsequent ring-opening at the oxadiazole moiety occurs. Isolation of 2-(hydroxyamino)-pyrimidine from the reaction mixture evidenced the presence of a competing pathway where the N(4) nitrogen of the oxadiazole is involved in the formation of a regioisomeric pyrimidinium salt. The effect of the trifluoromethyl group on the product distribution is discussed.…

fluoropyrimidine derivativecrystal structurepyrimidine N-oxidePyrimidinesynthesisStereochemistryOne-pot synthesisOxadiazoleX ray analysis3 diketoneBiochemistryMedicinal chemistryperchloric acidnitrogenchemistry.chemical_compoundside-chain rearrangementDrug DiscoveryStructural isomerSide chainMoietyPerchloric acidring openingfluorinated heterocycle3 diketone fluoropyrimidine derivative ketone derivative nitrogen oxide perchloric acid; article crystal structure hydrolysis priority journal reaction analysis ring opening synthesis X ray analysisTrifluoromethylChemistryOrganic Chemistryarticle124-oxadiazoleketone derivativereaction analysishydrolysispriority journaloxide
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N-[2-(2,2-Dimethylpropanamido)- pyrimidin-4-yl]-2,2-dimethyl- propanamide n-hexane 0.25-solvate hemihydrate

2013

The asymmetric unit of the title compound, C₁₄H₂₂N₄O₂·0.25C₆H₁₄·0.5H₂O, contains two independent molecules of 2,4-bis(pivaloylamino)pyrimidine (M) with similar conformations, one water molecule and one-half n-hexane solvent molecule situated on an inversion center. In one independent M molecule, one of the two tert-butyl groups is rotationally disordered between two orientations in a 3:2 ratio. The n-hexane solvent molecule is disordered between two conformations in the same ratio. The water molecule bridges two independent M molecules via O-H...O, N-H...O and O-H...N hydrogen bonds into a 2M·H₂O unit, and these units are further linked by N-H...N hydrogen bonds into chains running in the […

hemihydratecrystal structureN-[2-(22-Dimetyylipropaaniamido)-pyrimidin-4-yyli]-22-dimetyyli-propaaniamidi2-dimethyl-propanamideheksaanisolvaattikiderakenne2-Dimethylpropanamido)-pyrimidin-4-yl]-2hexane solvatehemihydraatti
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