Search results for "Crystal"
showing 10 items of 22886 documents
CCDC 684679: Experimental Crystal Structure Determination
2009
Related Article: H.Detert, D.Lenoir, H.Zipse|2009|Eur.J.Org.Chem.|2009|1181|doi:10.1002/ejoc.200801076
1D coordination polymer based on copper(II)-containing tetrameric 1,2,3-triazole ligand from click chemistry: Magnetic and catalytic properties
2019
Abstract A novel tetrameric tetra[O-((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)]-pentaerythritol (TBTP) has been synthesized using click chemistry strategy. TBTP was characterized and used as ligand to form new Cu(II) complexes, forming 1-D coordination polymers. Two square planar complexes were characterized by single-crystal X-ray diffraction, presenting formula [Cu(TBTP)][Cu(NO3)4] (1) and [Cu(TBTP)](NO3)2 (2). In both structures, a cationic 1-D coordination polymer (CP) has been formed. The CP contain a 1:1 Cu(II)/TBTP ratio with four neutral triazole groups coordinating the Cu(II) center, forming a Cu N bonds ranging 1.988(2)–2.001(2) A. The study of the magnetic properties of compounds 1…
Synthesis of Isoxazole and 1,2,3-Triazole Isoindole Derivatives via Silver- and Copper-Catalyzed 1,3-Dipolar Cycloaddition Reaction.
2016
International audience; The CuI-or Ag 2 CO 3-catalyzed [3+2] cycloaddition of propargyl-substituted dihydroisoindolin-1-one (3) with arylnitrile oxides 1a-d (Ar = Ph, p-MeC 6 H 4 , p-MeOC 6 H 4 , p-ClC 6 H 4) produces in good yields novel 3,5-disubstituted isoxazoles 4 of the ethyl-2-benzyl-3-oxo-1-((3-arylisoxazol-5yl)methyl)-2,3-dihydro-1H-isoindole-1-carboxylate type. With aryl azides 2a-d (Ar = Ph, p-MeC 6 H 4 , p-OMeC 6 H 4 , p-ClC 6 H 4), a series of 1,4-disubstituted 1,2,3-triazoles 6 (ethyl-2-benzyl-3-oxo-1-((1-aryl-1H-1,2,3-triazol-4-yl)methyl)-2,3-dihydro-1H-isoindole-1-carboxylates) was obtained. The reactions proceed in a regioselective manner affording exclusively racemic adduc…
Synthesis and characterization of new 1,4 and 1,5-disubstituted glucopyranosyl 1,2,3-triazole by 1,3-dipolar cycloaddition
2009
Abstract A series of 1,4 and 1,5-disubstituted 1-(β- d -glucopyranosyl)-1,2,3-triazoles has been prepared in an efficient manner with excellent yields using the intermolecular 1,3-dipolar cycloaddition of 1-azido-2,3,4,6-tetra-O-acetyl-β- d -glucopyranose 2 to a variety of substituted alkynes phenylacethylene 3, propargyl alcohol 4, 2-butyn-1,4-diol, 5, 3-propargylbenzimidazole 6 and propargylpyrazole 7 in toluene. The reaction takes place with the formation of both 4- and 5-regioisomers.
CCDC 2061198: Experimental Crystal Structure Determination
2021
Related Article: Lauri Happonen, J. Mikko Rautiainen, Arto Valkonen|2021|Cryst.Growth Des.|21|3409|doi:10.1021/acs.cgd.1c00183
Base-Controlled Regiospecific Mono-Benzylation/Allylation and Diallylation of 4-Aryl-5-indolyl-1,2,4-triazole-3-thione : Thio-Aza Allyl Rearrangement
2023
The regiospecific S-benzylation/allylation of two 4-aryl-5-indolyl-1,2,4-triazole-3-thione precursors was carried out using Et3N as a base. Allyl group migration from exocyclic sulfur to the triazole nitrogen (N3) was successfully achieved in a short time via thermal fusion without the need for any catalyst. The allylation of indole nitrogen, along with exocyclic sulfur or triazole nitrogen (N3), was carried out using K2CO3 as stronger base. S,N-Diallylated products were converted to N,N-diallylated analogues using a simple fusion approach. Structural analyses of the two newly synthesized hybrids 2b and 5b investigated via the X-ray diffraction of a single crystal combined with Hirshfeld ca…
CCDC 1575617: Experimental Crystal Structure Determination
2017
Related Article: Matthew M. Morgan, Evan A. Patrick, J. Mikko Rautiainen, Heikki M. Tuononen, Warren E. Piers, Denis M. Spasyuk|2017|Organometallics|36|2541|doi:10.1021/acs.organomet.7b00051
CCDC 676992: Experimental Crystal Structure Determination
2008
Related Article: I.Goba, B.Turovska, J.Stradins, I.Turovskis, E.Liepinsh, S.Belyakov|2007|Khim.Get.Soedin.,SSSR||226|
CCDC 234633: Experimental Crystal Structure Determination
2006
Related Article: M.Bujak, A.Budzianowski, A.Katrusiak|2004|Z.Kristallogr.|219|573|doi:10.1524/zkri.219.9.573.44041
Stability of Asymmetric Lipid Bilayers Assessed by Molecular Dynamics Simulations
2009
The asymmetric insertion of amphiphiles into biological membranes compromises the balance between the inner and outer monolayers. As a result, area expansion of the receiving leaflet and curvature strain may lead to membrane permeation, shape changes, or membrane fusion events. We have conducted both atomistic and coarse-grained molecular dynamics simulations of dipalmitoyl-phosphatidylcholine (DPPC) bilayers to study the effect of an asymmetric distribution of lipids between the two monolayers on membrane stability. Highly asymmetric lipid bilayers were found to be surprisingly stable within the submicrosecond time span of the simulations. Even the limiting case of a monolayer immersed in …