Search results for "PYRIDINE"

showing 10 items of 2516 documents

CCDC 1901279: Experimental Crystal Structure Determination

2019

Related Article: Rakesh Puttreddy, Anssi Peuronen, Manu Lahtinen, Kari Rissanen|2019|Cryst.Growth Des.|19|3815|doi:10.1021/acs.cgd.9b00284

(acetonitrile)-bis(nitrato)-bis(4-iodopyridine)-copper(ii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1567348: Experimental Crystal Structure Determination

2017

Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Sergiu Shova, Francesc Lloret, and Miguel Julve|2017|Inorg.Chem.|56|12594|doi:10.1021/acs.inorgchem.7b02050

(mu-cyano)-diaqua-heptacyano-bis[2-(1H-imidazol-2-yl)pyridine]-(propan-2-ol)-dysprosium-tungsten dihydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1567349: Experimental Crystal Structure Determination

2017

Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Sergiu Shova, Francesc Lloret, and Miguel Julve|2017|Inorg.Chem.|56|12594|doi:10.1021/acs.inorgchem.7b02050

(mu-cyano)-diaqua-heptacyano-bis[2-(1H-imidazol-2-yl)pyridine]-(propan-2-ol)-erbium-tungsten dihydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1049849: Experimental Crystal Structure Determination

2018

Related Article: Miguel Julve, Alain Gleizes, Lise Marie Chamoreau, Eliseo Ruiz, Michel Verdaguer|2018|Eur.J.Inorg.Chem.||509|doi:10.1002/ejic.201700935

(mu-ethanedioato)-diaqua-bis(22'-bipyridine)-bis(trifluoromethanesulfonato)-di-copper(ii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 941095: Experimental Crystal Structure Determination

2013

Related Article: Christoph Gütz, Rainer Hovorka, Caroline Stobe, Niklas Struch, Filip Topić, Gregor Schnakenburg, Kari Rissanen, Arne Lützen|2014|Eur.J.Org.Chem.|2014|206|doi:10.1002/ejoc.201301314

(mu2-(M)-44'-((22'-bis(Methoxymethoxy)-11'-binaphthalene-66'-diyl)diethyne-21-diyl)dipyridine)-(mu2-(P)-44'-((22'-bis(methoxymethoxy)-11'-binaphthalene-66'-diyl)diethyne-21-diyl)dipyridine)-bis(13-bis(diphenylphosphino)propane)-di-palladium(ii) tetrakis(trifluoromethanesulfonate) tetrahydropyran solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 843328: Experimental Crystal Structure Determination

2011

Related Article: J.Vallejo, I.Castro, J.Ferrando-Soria, M.del P.Deniz-Hernandez, C.Ruiz-Perez, F.Lloret, M.Julve, R.Ruiz-Garcia, J.Cano|2011|Inorg.Chem.|50|2073|doi:10.1021/ic1025203

(mu~2~-Oxalato-OO':O''O''')-diaqua-(22'-bipyridine-NN')-(29-dimethyl-110-phenanthroline-NN')-(oxalato-OO')-chromium(iii)-cobalt(ii) (22'-bipyridine-NN')-bis(oxalato-OO')-chromium(iii) tetrahydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 685749: Experimental Crystal Structure Determination

2009

Related Article: P.Gomez-Saiz, R.Gil-Garcia, M.A.Maestro, J.L.Pizarro, M.I.Arriortua, L.Lezama, T.Rojo, M.Gonzalez-Alvarez, J.Borras, J.Garcia-Tojal|2008|J.Inorg.Biochem.|102|1910|doi:10.1016/j.jinorgbio.2008.06.015

(mu~2~-Pyrazine)-bis(pyridine-2-aldehyde thiosemicarbazone)-di-copper(ii) diperchlorateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 750190: Experimental Crystal Structure Determination

2011

Related Article: P.Albores, E.Rentschler|2010|Dalton Trans.|39|5005|doi:10.1039/b925214b

(mu~3~-Oxo)-pentakis(mu~2~-22-dimethylpropanoato-OO')-aqua-(22'-bipyridine-NN')-(22-dimethylpropanoato-OO')-cobalt(ii)-di-iron(iii) acetonitrile solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Effects of water removal on the structure and spin-crossover in an anilato-based compound

2021

The crucial role played by a crystallization water molecule in the spin crossover (SCO) temperature and its hysteresis is described and discussed in compound [NBu4][Fe(bpp)2][Cr(C6O4Br2)3]⋅2.5H2O (1), where bpp = 2,6-bis(pyrazol-3-yl)pyridine and (C6O4Br2)2− = dianion of the 3,6-dibromo-2,5-dihydroxy-1,4-benzoquinone. The compound has isolated [Fe(bpp)2]2+ cations surrounded by chiral [Cr(C6O4Br2)3]3− anions, NBu4+ cations, and a water molecule H-bonded to one of the non-coordinated N–H groups of one bpp ligand. This complex shows a gradual almost complete two-step spin transition centered at ca. 180 and 100 K with no hysteresis. The loss of the water molecules results in a phase transition…

010302 applied physicsPhase transitionMaterials scienceSpin transitionGeneral Physics and Astronomy02 engineering and technology021001 nanoscience & nanotechnology01 natural sciencesLIESSTCrystallographychemistry.chemical_compoundchemistrySpin crossoverExcited statePhase (matter)0103 physical sciencesPyridineMolecule0210 nano-technologyJournal of Applied Physics
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The substituent effect of π-electron delocalization in N-methylamino-nitropyridine derivatives: crystal structure and DFT calculations

2020

AbstractThe crystal and molecular structures of 3-(N-methylamino)-2-nitropyridine, 5-(N-methylamino)-2-nitropyridine and 2-(N-methylamino)-5-nitropyridine have been characterized by X-ray diffraction. To perform conformational analysis, the geometries of the compounds as well as their conformers and rotamers were optimized at the B3LYP/6-311++G(3df,3pd) level. The resulting data were used to analyze the π-electron delocalization effect in relation to the methylamino group rotation in ortho-, meta- and para-substitution positions. Quantitative aromaticity indices were calculated based on which we estimated the electronic structures of the analyzed compounds. The substituent effect of the met…

010405 organic chemistryAromaticityCrystal structureSubstituentAromaticityCrystal structure010402 general chemistryCondensed Matter PhysicsRing (chemistry)DFT calculations01 natural sciences0104 chemical sciencesCrystallographychemistry.chemical_compoundDelocalized electronSubstituent effectchemistryCharge of the substituent active regionIntramolecular forcePyridineSubstituent effect stabilization energyPhysical and Theoretical ChemistryConformational isomerismStructural Chemistry
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