Search results for "Crystal Structure"

showing 10 items of 15036 documents

Crystal Structures and Density Functional Theory Calculations of o-and p-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and aromatic i…

2013

The interplay of strong and weak hydrogen bonds, dipole–dipole interactions, and aromatic interactions of o- and p-nitroaniline derivatives was studied by combining crystal structure analysis and density functional theory (DFT) calculations. Crystal structures of four 2-nitroaniline derivatives, 2-((2-nitrophenyl)amino)ethyl methanesulfonate (1A), 2-((2-nitrophenyl)amino)ethyl 4-methylbenzenesulfonate (2A), N,N′-((1,3-phenylenebis(oxy))bis(ethane-2,1-diyl))bis(2-nitroaniline) (3A), and N-(2-chloroethyl)-2-nitroaniline (4A), and crystal structures of three 4-nitroaniline derivatives, 2-((4-nitrophenyl)amino)ethyl methanesulfonate (1B), 2-((4-nitrophenyl)amino)ethyl 4-methylbenzenesulfonate (…

ta214Ethyl methanesulfonateta114Hydrogen bondIntermolecular forceAromaticityGeneral ChemistryCrystal structureCondensed Matter PhysicsRing (chemistry)Nitroanilinechemistry.chemical_compoundCrystallographychemistryComputational chemistryGeneral Materials ScienceDensity functional theoryta116Crystal Growth and Design
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2-Methylresorcinarene: a very high packing coefficient in a mono-anion based dimeric capsule and the X-ray crystal structure of the tetra-anion

2016

Mono- and tetra-deprotonated 2-methylresorcinarene anions (1 and 2) as their trans-1,4-diammoniumcyclohexane (TDAC)2+ inclusion complexes are reported. The mono-anion forms a fully closed dimeric capsule [1·H2O·MeOH]22− with a cavity volume of 165 Å3 and (TDAC)2+ as the guest with an extremely high packing coefficient, PC = 84.2%, while the tetra-anion forms a close-packed structure with two structurally isomeric tetra-anions 2a and 2b with a 50 : 50 ratio in the crystal lattice. peerReviewed

tetra-anionsta114biology010405 organic chemistryChemistryMetals and AlloysX-rayCapsuleGeneral ChemistryCrystal structureX-ray crystal structure010402 general chemistrybiology.organism_classification01 natural sciencesCatalysismono-anions0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIonCrystallographyMaterials ChemistryCeramics and CompositesTetrata116
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CCDC 662715: Experimental Crystal Structure Determination

2008

Related Article: J.Bould, A.Laromaine, N.J.Bullen, C.Vinas, M.Thornton-Pett, R.Sillanpaa, R.Kivekas, J.D.Kennedy, F.Teixidor|2008|Dalton Trans.||1552|doi:10.1039/b715845a

tetra-n-butylammonium 7-(o-cyanopyridine-N)-89:1011-dimuH-nido-undecaborateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1958345: Experimental Crystal Structure Determination

2020

Related Article: Raphael C. A. Vaz, Isabela O. Esteves, Willian X. C. Oliveira, João Honorato, Felipe T. Martins, Lippy F. Marques, Guilherme L. dos Santos, Ricardo O. Freire, Larissa T. Jesus, Emerson F. Pedroso, Wallace C. Nunes, Miguel Julve, Cynthia L. M. Pereira|2020|Dalton Trans.|49|16106|doi:10.1039/D0DT02497J

tetra-n-butylammonium tetrakis((4-fluoroanilino)(oxo)acetato)-(dimethyl sulfoxide)-terbium(iii) dihydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 172703: Experimental Crystal Structure Determination

2002

Related Article: M.Dey, C.P.Rao, P.K.Saarenketo, K.Rissanen|2002|Inorg.Chem.Commun.|5|380|doi:10.1016/S1387-7003(02)00407-0

tetrakis((mu~3~-2-Methyl-2-(salicyclideneamino)propanolato)-copper(ii)) tetrahydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 947463: Experimental Crystal Structure Determination

2013

Related Article: Anssi Peuronen, Esa Lehtimäki, and Manu Lahtinen|2013|Cryst.Growth Des.|13|4615|doi:10.1021/cg401246n

tetrakis(11'1''-(Benzene-135-triyltris(methylene))tris(4-aza-1-azoniabicyclo[2.2.2]octane)) tris(oxonium) pentadecakis(hexafluorophosphate) nonahydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 908615: Experimental Crystal Structure Determination

2015

Related Article: Pawel Jewula, Jean-Claude Berthet, Jean-Claude Chambron, Yoann Rousselin, Pierre Thuéry, Michel Meyer|2015|Eur.J.Inorg.Chem.||1529|doi:10.1002/ejic.201403206

tetrakis(1-(oxy)piperidin-2-one)-zirconium dichloromethane solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1432272: Experimental Crystal Structure Determination

2016

Related Article: Anna Świtlicka-Olszewska, Joanna Palion-Gazda, Tomasz Klemens, Barbara Machura, Julia Vallejo, Joan Cano, Francesc Lloret, Miguel Julve|2016|Dalton Trans.|45|10181|doi:10.1039/C6DT01160H

tetrakis(1-Benzyl-1H-imidazole)-bis(dicyanamide)-cobalt(ii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1867830: Experimental Crystal Structure Determination

2019

Related Article: Anna Świtlicka, Joanna Palion-Gazda, Barbara Machura, Joan Cano, Francesc Lloret, Miguel Julve|2019|Dalton Trans.|48|1404|doi:10.1039/C8DT03965H

tetrakis(1-benzyl-1H-imidazole)-bis[(iminomethylidene)propanedinitrilato]-cobalt(ii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1867829: Experimental Crystal Structure Determination

2019

Related Article: Anna Świtlicka, Joanna Palion-Gazda, Barbara Machura, Joan Cano, Francesc Lloret, Miguel Julve|2019|Dalton Trans.|48|1404|doi:10.1039/C8DT03965H

tetrakis(1-benzyl-2-methyl-1H-imidazole)-bis[(iminomethylidene)propanedinitrilato]-cobalt(ii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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