Results 131 to 140 of about 1,102 (170)
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Inorganic Chemistry, 2012
The synthesis and characterization of the complexes of Cu(I), Ag(I), Cu(II), and Co(II) ions with 1,2,5-selenadiazolopyridine (psd) is reported. The following complexes have been prepared: [Cu(2)(psd)(3)(CH(3)CN)(2)](2+)2(PF(6)(-)); [(CuCl)(2)(psd)(3)]; [Cu(2)(psd)(6)](2+)2(ClO(4))(-); [Ag(2)(psd)(2)](2+)2(NO(3))(-); [Ag(2)(psd)(2)](2+)2(CF(3)COO)(-); [
MUKHERJEE, G +7 more
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The synthesis and characterization of the complexes of Cu(I), Ag(I), Cu(II), and Co(II) ions with 1,2,5-selenadiazolopyridine (psd) is reported. The following complexes have been prepared: [Cu(2)(psd)(3)(CH(3)CN)(2)](2+)2(PF(6)(-)); [(CuCl)(2)(psd)(3)]; [Cu(2)(psd)(6)](2+)2(ClO(4))(-); [Ag(2)(psd)(2)](2+)2(NO(3))(-); [Ag(2)(psd)(2)](2+)2(CF(3)COO)(-); [
MUKHERJEE, G +7 more
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Cooperative effects on the formation of supramolecular synthons of thiohydantoin derivatives
Journal of Computational Methods in Sciences and Engineering, 2014In this paper we study the manifestations of cooperative effects in the formation of supramolecular synthons observed in some thiohydantoin derivatives crystals. Energetic and structural properties were analyzed from the fully optimized clusters employing a DFT/B3LYP level of calculations, which reproduce the main features of the stereochemistry and ...
Luis E. Seijas +3 more
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Supramolecular Synthons: Validation and Ranking of Intermolecular Interaction Energies
Crystal Growth & Design, 2012Building 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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Multinuclear Silver Ethynide Supramolecular Synthons for the Construction of Coordination Networks
Chemistry - an Asian Journal, 2007AbstractThe invariant appearance of the μ8 coordination mode for the C42− dianion in its silver(I) complexes, with four silver(I) atoms attached to each terminal ethynide moiety, implies that the Ag4⊂CCCC⊃Ag4 species may be considered as a new type of supramolecular synthon for the construction of 1D, 2D, and 3D coordination polymers.
Thomas C W Mak
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Supramolecular Synthons in Bumetanide Cocrystals and Ternary Products
Crystal Growth & Design, 2017A 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 +3 more
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THEORETICAL STUDIES OF THE SUPRAMOLECULAR SYNTHON BENZENE � � � HEXAFLUOROBENZENE
Journal of Physical Organic Chemistry, 1997The 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 +2 more
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A Supramolecular Synthon for H-Bonded Transition Metal Arrays
Inorganic Chemistry, 1999The 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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1,3,5‐Triazine‐Based Synthons in Supramolecular Chemistry
ChemInform, 2005AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Patrick Gamez, Jan Reedijk
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The Supramolecular Synthon Approach to Crystal Structure Prediction
Crystal Growth & Design, 2002A 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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Amine–carboxylate supramolecular synthon in pharmaceutical cocrystals
CrystEngComm, 2018Four novel pharmaceutical cocrystals of l-proline were obtained via combined virtual and experimental screening. The results confirm that an amine–carboxylate supramolecular synthon can be used for pharmaceutical cocrystal design.
Duanxiu Li +4 more
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