(1)H- and (13)C-NMR analysis of a series of 1,2-diaryl-1H-4,5-dihydroimidazoles

An analysis of the (1)H- and (13)C-NMR spectra of a series of 1,2-diaryl-1H-4,5-dihydroimidazoles and comparisons with 4,5-dihydroimidazoles having different substitution patterns are presented. The influence of different 1-aryl and 2-aryl group substituents on spectroscopic parameters of the heterocyclic ring and on the contributions of possible mesomeric structures in the system was determined. Spectroscopic features are coherent with the presence of two conjugated systems (Ar(1)-N and Ar(2)-C=N) which compete with the delocalization characteristics of the amidine system.     

Synthesis of 1-(4-Alkoxybenzyl)-1H-(benz)imidazoles

Russian Journal of General Chemistry - N-Alkylation of 1H-imidazole and 1H-benzimidazole with 4-n-octyloxybenzylchloride, 4-n-hexadecyloxybenzylchloride and...     

Water adsorption on the hydroxylated H-(1x1) O-ZnO(0001) surface

The adsorption of water multilayers on a well defined single crystal, hydroxyl-terminated ZnO-surface, H(1x1)-O-ZnO(0001) surface has been investigated using infrared (IR) spectroscopy, helium atom scattering (HAS) and X-ray photoelectron spectroscopy (XPS). The results reveal the formation of well ordered mono-, bi- and multilayers of D2O and H2O on this substrate. On the bare hydroxyl-covered H(1x1) surface the OH-stretch vibration could be clearly identified in the IR-spectra. The water adsorption and desorption kinetics on this hydroxylated surface were studied by monitoring the reflectivity of the surface for helium atoms. The analysis of the data yielded activation energies for desorption of H2O from the H(1x1) O-ZnO surface of 55.2 kJ mol-1. The results reveal the formation of ordered mono- and bilayers. Further exposure to water at 113 K results in the formation of amorphous 3-D islands.     

Synthesis,Structure and Biological Activities of 2-(1H- 1,2,3-Benzotriazol-1-yl)-1-(4-methylphenyl)-2- (1H-1,2,4-triazol-1-yl)-1-ethanone

IntroductionTriazole derivatives have become the most rapidlyexpanding group of antifungal compounds with advanta-ges of lowtoxicity, high oral bioavailability and broad-spectrum antifungal activity, which can be used againstfungi including most yeasts an…     

The chemistry of 2H-3,1-benzoxazine-2,4(1H)dione (isatoic anhydrides) 1. The synthesis of N-substituted 2H-3,1-benzoxazine-2,4(1H)diones

Three methods for the preparation of N-substituted 2H-3,1-benzoxazine-2,4(1H)diones (isatoic anhydrides) (1) utilizing 2-chloro-, 2-nitrobenzoic acids and N-unsubstituted isatoic anhydrides as starting materials, are described.     

Synthesis and antineoplastic properties of (1H-1,2,3-triazol-1-yl)furazans

A method of 3-amino-4-[5-aryl(heteroaryl)-1H-1,2,3-triazol-1-yl)]furazan synthesis was optimized. Condensation of these compounds with 2,5-dimethoxytetrahydrofuran resulted in a series of previously unknown 4-[5-aryl(heteroaryl)-1H-1,2,3-triazol-1-yl)]-3-(pyrrol-1-yl)furazans. All target compounds were evaluated for both antimitotic microtubule destabilizing effect in a phenotypic sea urchin embryo assay and cytotoxicity in a panel of 60 human cancer cell lines. Pyrrolyl derivatives of triazolylfurazans were determined as antiproliferative compounds. The most potent microtubule targeting compounds 7a and 7e are of interest for further trials as antineoplastic agents.     

Assigning powders to crystal structures by high-resolution (1)H-(1)H double quantum and (1)H-(13)C J-INEPT solid-state NMR spectroscopy and first principles computation. A case study of penicillin G

We show how powder samples at natural isotopic abundance can be assigned to crystal structures by using high-resolution proton and carbon-13 solid-state NMR spectra in combination with first principles calculations. Homonuclear proton double-quantum spectra in combination with through-bond proton-carbon HSQC spectra are used to assign the NMR spectra. We then show that the proton chemical shifts can be included in the process of assigning the spectra to a crystal structure using first principles calculations. The method is demonstrated on the K salt of penicillin G.     

Synthesis of 1-(benzothiazol-2-yl)-5-(o-hydroxyphenyl)-1H-1,2,4-triazoles

Recyclization of 4-oxo-1,3-benzoxazinium perchlorates by the action of benzothiazolylhydrazine gave previously unknown benzothiazolyl-substituted 1,2,4-triazoles that attract interest as potential biologically active substances. The structure of the isolated compounds was determined on the basis of their IR and ¹H and ¹³C NMR spectra.