Search results for "5-dimethyl-1"

showing 10 items of 69 documents

CCDC 1471985: Experimental Crystal Structure Determination

2016

Related Article: Izabela Gryca, Joanna Palion-Gazda, Barbara Machura, Mateusz Penkala, Francesc Lloret and Miguel Julve|2016|Eur.J.Inorg.Chem.||5418|doi:10.1002/ejic.201601004

(mu-oxalato)-bis(1-((35-dimethyl-1H-pyrazol-1-yl)methyl)-35-dimethyl-1H-pyrazole)-tetrachloro-rhenium(iv)-manganese(ii) acetonitrile solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1471986: Experimental Crystal Structure Determination

2016

Related Article: Izabela Gryca, Joanna Palion-Gazda, Barbara Machura, Mateusz Penkala, Francesc Lloret and Miguel Julve|2016|Eur.J.Inorg.Chem.||5418|doi:10.1002/ejic.201601004

(mu-oxalato)-bis(1-((35-dimethyl-1H-pyrazol-1-yl)methyl)-35-dimethyl-1H-pyrazole)-tetrachloro-rhenium(iv)-nickel(ii) acetonitrile solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 734965: Experimental Crystal Structure Determination

2010

Related Article: B.R.Aluri, S.Burck, D.Gudat, M.Niemeyer, O.Holloczki, L.Nyulaszi, P.G.Jones, J.Heinicke|2009|Chem.-Eur.J.|15|12263|doi:10.1002/chem.200901753

25-Dimethyl-1H-13-benzazaphospholeSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 285998: Experimental Crystal Structure Determination

2006

Related Article: S.Amriou, Changsheng Wang, A.S.Batsanov, M.R.Bryce, D.F.Perepichka, E.Orti, R.Viruela, J.Vidal-Gancedo, C.Rovira|2006|Chem.-Eur.J.|12|3389|doi:10.1002/chem.200501326

27-di-iodo-9-(45-dimethyl-13-dithiol-2-ylidene)fluoreneSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 956724: Experimental Crystal Structure Determination

2013

Related Article: M. O. Plutenko, R. D. Lampeka, M. Haukka and E. Nordlander|2013|Acta Crystallogr.,Sect.E:Struct.Rep.Online|69|o765|doi:10.1107/S1600536813009628

2-(35-Dimethyl-1H-pyrazol-1-yl)-2-(hydroxyimino)-N'-(1-(pyridin-2-yl)ethylidene)acetohydrazideSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 914350: Experimental Crystal Structure Determination

2013

Related Article: M.O.Plutenko, R.D.Lampeka, M.Haukka, E.Nordlander|2012|Acta Crystallogr.,Sect.E:Struct.Rep.Online|68|o3381|doi:10.1107/S1600536812045412

2-(35-Dimethyl-1H-pyrazol-1-yl)-2-(hydroxyimino)-N'-(1-(pyridin-2-yl)ethylidene)acetohydrazideSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Theoretical prediction of structural, vibrational and NMR parameters of plastic optical fiber (POF) material precursors. Cis and trans perhydro- and …

2014

Abstract Density functional theory (DFT) prediction of cis and trans perhydro- and perfluoro-2-methylene-4,5-dimethyl-1,3-dioxolanes structure, supported by vibrational analysis and calculation of multinuclear isotropic nuclear magnetic resonance (NMR) shieldings and indirect spin–spin couplings (SSCCs) was performed. The performance of the used methodology was verified on 1,3-dioxolane selected as model compound. The structures of hydrogenated and fluorinated monomers of POF materials were calculated using B3LYP and BLYP density functionals combined with 6-311 ++ G(3df,2pd) basis set. The BLYP/6-311++G(3df,2pd) level of theory was suggested for vibrational analysis. Gauge independent atomi…

Models Molecular5-dimethyl-1Magnetic Resonance Spectroscopy3-dioxolaneMolecular ConformationSpectrum Analysis RamanDFTVibrationchemistry.chemical_compoundAtomic orbitalIsomerismComputational chemistrySpectroscopy Fourier Transform InfraredMaterials ChemistryPOFPhysical and Theoretical ChemistryMethylenePlastic optical fiberSpectroscopyBasis setOptical FibersCoupling constantChemistryIsotropyperfluoro-2-methylene-4DioxolanesComputer Graphics and Computer-Aided DesignGIAO NMRQuantum TheoryDensity functional theoryPlasticsCis–trans isomerismJournal of Molecular Graphics and Modelling
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CCDC 1534659: Experimental Crystal Structure Determination

2017

Related Article: Karolina Zdyb, Maxym O. Plutenko, Rostislav D. Lampeka, Matti Haukka, Malgorzata Ostrowska, Igor O. Fritsky, Elzbieta Gumienna-Kontecka|2017|Polyhedron|137|60|doi:10.1016/j.poly.2017.07.009

Space GroupCrystallography(2-(35-dimethyl-1H-pyrazol-1-yl)-2-(hydroxyimino)-N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide)-(2-(35-dimethyl-1H-pyrazol-1-yl)-2-(hydroxyimino)-N-[1-(pyridin-2-yl)ethylidene]ethanehydrazonato)-nickel(ii) perchlorate methanol solvate monohydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1534664: Experimental Crystal Structure Determination

2017

Related Article: Karolina Zdyb, Maxym O. Plutenko, Rostislav D. Lampeka, Matti Haukka, Malgorzata Ostrowska, Igor O. Fritsky, Elzbieta Gumienna-Kontecka|2017|Polyhedron|137|60|doi:10.1016/j.poly.2017.07.009

Space GroupCrystallography(2-(35-dimethyl-1H-pyrazol-1-yl)-2-(hydroxyimino)-N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide)-(2-(35-dimethyl-1H-pyrazol-1-yl)-2-(hydroxyimino)-N-[1-(pyridin-2-yl)ethylidene]ethanehydrazonato)-nickel(ii) perchlorate methanol solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1485223: Experimental Crystal Structure Determination

2017

Related Article: Cameron M. E. Graham, Taylor E. Pritchard, Paul D. Boyle, Juuso Valjus, Heikki M. Tuononen, Paul J. Ragogna|2017|Angew.Chem.,Int.Ed.|56|6236|doi:10.1002/anie.201611196

Space GroupCrystallography(45-dimethyl-13-di-isopropyl-13-dihydro-2H-imidazol-2-ylidene)(22''44''66''-hexamethyl-11':3'1''-terphenyl-2'-yl)phosphanethione tetrahydrofuran solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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