Results 181 to 190 of about 3,703 (215)

Synthesis of Multitopic Verdazyl Radical Ligands. Paramagnetic Supramolecular Synthons

Organic Letters, 2004
[structure: see text] The syntheses of several verdazyl radical and diradicals containing pyridine-based multitopic coordination sites are described. These compounds were designed to be paramagnetic analogues of oligopyridine metallosupramolecular building blocks.
Robin G, Hicks, Bryan D, Koivisto, Martin T, Lemaire   +2 more
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Supramolecular Synthons: Validation and Ranking of Intermolecular Interaction Energies

Crystal Growth & Design, 2012
Building upon Desiraju’s concept of a supramolecular synthon, we have calculated cohesive energies and thermal stabilities of molecular systems related to the proposed synthons. The method employed is PIXEL, which allows reliable and extensive mapping of intermolecular surfaces. Comparisons with accurate ab initio calculations are included.
J. D. Dunitz, A. Gavezzotti
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Ferrocene based organometallic gelators: a supramolecular synthon approach

Soft Matter, 2011
The supramolecular synthon namely primary ammonium dicarboxylate (PAD) synthon has been exploited to generate a new series of salt based low molecular weight gelators (LMWGs) derived from ferrocenedicarboxylic acid (FDCA) and primary amines Me–(CH2)n–NH2 (n = 3–15).
Pathik Sahoo, Vedavati G. Puranik, A. K. Patra, P. U. Sastry, Parthasarathi Dastidar   +4 more
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Supramolecular Synthons in Bumetanide Cocrystals and Ternary Products

Crystal Growth & Design, 2017
A novel design strategy for cocrystals of the diuretic sulfonamide drug bumetanide (BUM) with carboxamides is reported based on reliable supramolecular synthons. Binary cocrystals of BUM with pyridine carboxamides, pyridones, and cytosine were obtained by solvent-assisted grinding followed by solution crystallization.
Suryanarayana Allu, Geetha Bolla, Srinu Tothadi, Ashwini Nangia   +3 more
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Conserved hydrogen-bonded supramolecular synthons in pyridinium tetrachlorometallates

CrystEngComm, 2004
The crystal and molecular structures of the pyridinium tetrahalometallates, [Hpy]2[CoCl4] and [Etpy]2[CoCl4], have been determined and compared with those of other pyridinium tetrahalometallates and 4,4'-bipyridinium perhalometallates. The pyridinium cation in [Hpy]2[CoCl4] uses its heterocyclic N–H and 4-positioned C–H moieties to form bifurcated ...
Felloni, M, Hubberstey, P, Wilson, C, Schroder, Martin   +3 more
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THEORETICAL STUDIES OF THE SUPRAMOLECULAR SYNTHON BENZENE � � � HEXAFLUOROBENZENE

Journal of Physical Organic Chemistry, 1997
The benzene · · · hexafluorobenzene stacking interaction was evaluated at several levels of theory. At the MP2/6–31G** level, it is estimated that the interaction is stabilizing by approximately 3.7 kcal mol−1. Lower levels of theory perform poorly on this system. This is a fairly strong non-covalent interaction, suggesting this motif may be a valuable
Anthony P. West, Sandro Mecozzi, Dennis A. Dougherty   +2 more
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The Supramolecular Synthon Approach to Crystal Structure Prediction

Crystal Growth & Design, 2002
A new approach has been proposed for the ab initio crystal structure prediction of small organic molecules.
J. A. R. P. Sarma, Gautam R. Desiraju
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A Supramolecular Synthon for H-Bonded Transition Metal Arrays

Inorganic Chemistry, 1999
The heterocycle melamine appended to a 14-membered polyazamacrocyclic copper(II) complex ring exhibits a strong propensity for ordered arrays driven by H-bonding forces. In this work, the X-ray crystal structures of three distinctly different arrays based on the same macrocyclic complex are reported, comprising cocrystals with barbituric acid (a sheet ...
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Four‐Center Nodes: Supramolecular Synthons Based on Cyclic Halogen Bonding

Chemistry – A European Journal, 2019
AbstractThe isocyanide trans‐[PdBr2(CNC6H4‐4‐X′)2] (X′=Br, I) and nitrile trans‐[PtX2(NCC6H4‐4‐X′)2] (X/X′=Cl/Cl, Cl/Br, Br/Cl, Br/Br) complexes exhibit similar structural motif in the solid state, which is determined by hitherto unreported four‐center nodes formed by cyclic halogen bonding.
Mariya A. Kryukova, Daniil M. Ivanov, Mikhail A. Kinzhalov, Alexander S. Novikov, Andrey S. Smirnov, Nadezhda A. Bokach, Vadim Yu. Kukushkin   +6 more
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N-terminal protein recognition by supramolecular synthons

This research investigate the biomolecular recognition capabilities of WPCTX, an anionic phosphocavitand. Cocrystallization trials of WPCTX and two different model proteins were performed. X-ray crystallography was used to elucidate the structures of the resulting crystals. NMR spectroscopy was used to characterize the protein – macrocycle interactions
openaire   +1 more source