Search results for "Crystal"

showing 10 items of 22886 documents

CCDC 1512900: Experimental Crystal Structure Determination

2017

Related Article: Shobhraj Haldar, Gonela Vijaykumar, Luca Carrella, Steven Batha, Ghezai T. Musie, Manindranath Bera|2017|ACS Omega|2|1535|doi:10.1021/acsomega.7b00189

tri-sodium (bis(mu-22'-((2-oxidopropane-13-diyl)bis((((pyridin-2-yl)methyl)azanediyl)methylene))dibenzoato)-(mu-phosphato)-tetra-copper) dihydroxide tetradecahydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 706867: Experimental Crystal Structure Determination

2012

Related Article: L.Lopez-Banet, M.D.Santana, G.Garcia, J.Perez, L.Garcia, L.Lezama, M.Liu|2012|Polyhedron|31|575|doi:10.1016/j.poly.2011.10.014

triaqua-(hydrogen tris(35-dimethyl-1H-pyrazol-1-yl)borate)-nickel(ii) bis(4-nitrophenyl) phosphateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Synthesis, X-Ray Structure, Tautomerism Aspect, and Chemical Insight of The 3-(1H-Indol-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol

2021

The 3-(1H-indol-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol 2 was obtained exclusively in the enol configuration starting from triazolyl-indole derivative 1 and alkyl halo-esters in the presence of K2CO3. Chemical structure elucidations with the aid of physicochemical characterizations were used to predict its molecular structure while single crystal X-ray diffraction technique was used to shed the light on the supramolecular structure of 2. DFT calculations agreed very well with the reported X-ray structure where the most stable form thermodynamically is the enol form. Its optimized geometry agreed very well with the experimental structure where the correlation coefficients betwe…

triazolyl-indoleChemical structureSupramolecular chemistry010402 general chemistry01 natural sciencesAnalytical ChemistryInorganic Chemistrychemistry.chemical_compoundsupramolekulaarinen kemiaMoleculeHirshfeld surface analysissynteesiSpectroscopy010405 organic chemistryOrganic ChemistryIntermolecular forceEnolTautomer0104 chemical sciencesDFTNBOCrystallographytautomerismchemistryDerivative (chemistry)tautomeriaNatural bond orbital
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CCDC 1443465: Experimental Crystal Structure Determination

2017

Related Article: Rajendhraprasad Tatikonda, Elina Kalenius, Matti Haukka|2016|Inorg.Chim.Acta|453|298|doi:10.1016/j.ica.2016.08.015

tribromo-(5-(dimethoxymethyl)-2-[5-(dimethoxymethyl)-1-ethyl-1H-imidazol-2-yl]-1-ethyl-1H-imidazol-3-ium)-zinc(ii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1858307: Experimental Crystal Structure Determination

2018

Related Article: A.J. Peloquin, M.B. Smith, B.J. O'Connell, K.B. Ghiassi, G.J. Balaich, S.T. Iacono|2018|Acta Crystallogr.,Sect.E:Cryst.Commun.|74|1190|doi:10.1107/S2056989018010794

tricarbonyl-(1-[(24-diphenylcyclopenta-24-dien-1-ylidene)methyl]pyrene)-chromium(0)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1985141: Experimental Crystal Structure Determination

2020

Related Article: Adrien T. Normand, E. Daiann Sosa Carrizo, Corentin Magnoux, Esteban Lobato, Hélène Cattey, Philippe Richard, Stéphane Brandès, Charles H. Devillers, Anthony Romieu, Pierre Le Gendre, Paul Fleurat-Lessard|2021|Chemical Science|12|253|doi:10.1039/D0SC04736H

trichloro-(1133-tetraphenyl-13-bis(phenylimino)-13-triphosphan-2-yl)-zirconium(iv) dichloromethane solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1431249: Experimental Crystal Structure Determination

2015

Related Article: J. Palion-Gazda, I. Gryca, B. Machura, Francesc Lloret, Miguel Julve|2015|RSC Advances|5|101616|doi:10.1039/C5RA21466A

trichloro-(26-bis(pyridin-2-yl)-35-bis(pyridin-2-yl)pyrazine)-rhenium acetonitrile solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1523643: Experimental Crystal Structure Determination

2017

Related Article: Y.Y. Kim, J.M. Tanski|2017|Acta Crystallogr.,Sect.E:Cryst.Commun.|73|88|doi:10.1107/S2056989016020156

trichloro-(33'-di-t-butyl-55'66'-tetramethylbiphenyl-22'-diolato)-(tetrahydrofuran)-titanium(iv)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1951481: Experimental Crystal Structure Determination

2020

Related Article: Badral Gansukh, Qiuyue Zhang, Zygmunt Flisak, Tongling Liang, Yanping Ma, Wen‐Hua Sun|2020|Appl.Organomet.Chem.|34|e5471|doi:10.1002/aoc.5471

trichloro-{1-[6-(1-{[2-chloro-46-bis(diphenylmethyl)phenyl]imino}ethyl)pyridin-2-yl]-N-(26-diethylphenyl)ethan-1-imine}-chromiumSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2061407: Experimental Crystal Structure Determination

2021

Related Article: Erkam Cebi, Jan Klett|2021|Chem.-Eur.J.|27|12693|doi:10.1002/chem.202100912

trideca-sodium methanide dodecakis(2-methylpropan-2-olate)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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