Symmetric and non-symmetric 2-(N-H, N-methyl, N-ethylenyl and N-aryl)guanidinebenzothiazoles were synthesized from the reaction of ammonia, methylamine, pyrrolidine and aniline with dimethyl benzo[d]thiazol-2-yl-carbonodithioimidate as intermediate. The products were characterized by ¹H-, ¹³C-NMR spectroscopy and three of them by X-ray diffraction analysis. HN-phenyl protons formed intramolecul...

The mixed ligand complex [Ni(CMA)2(im)2(MeOH)2] (where CMA = 9,10-dihydro-9-oxo-10-acridineacetate ion, im = imidazole) was prepared, and its crystal and molecular structure were determined. The nickel ions are hexa-coordinated by four oxygen atoms of the carboxylate and hydroxyl groups and by two imidazole nitrogen atoms, to form a distorted octahedral arrangement. The structure consists of a ...

Three new supramolecular metal-coordination architectures [M(H2O)4(ampyz)2][M(H2O)6](SO4)2(H2O)2 (M = Co (1), Fe (2), and mixed Co/Fe (3); ampyz = 2-aminopyrazine) and a Cd(II) coordination polymer [Cd(ampyz)(H2O)2(SO4)]n(H2O)n (4) were synthesized by layered diffusion and structurally characterized. Compounds 1-3 are isomorphous. Monomeric complex units [M(H2O)4(ampyz)2]2+ are assembled by int...

1-Benzoylthioureas contain both carbonyl and thiocarbonyl functional groups and are of interest for their biological activity, metal coordination ability and involvement in hydrogen-bond formation. Two novel 1-benzoylthiourea derivatives, namely 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea, C16H16N2O3S, (I), and 1-benzoyl-3-(2-hydroxypropyl)thiourea, C11H14N2O2S, (II), have been synthesized and ch...

IR spectra of aqueous solutions of P 043-, ADP3-, ATP4-, Mg ADPand (MgADP~ + P 043_) (in two cases hydrated layers) were plotted. The parameter for the investigation was the mole percent of protons relative to the anions. The other cations were sodium or potassium. The purpose of our work was to obtain a basis for understanding the results regarding the changes to the interactions in ATP system...

the effect of vanillin on the corrosion behavior of aa6061 al alloy in 3.5% nacl solution wasinvestigated using potentiodynamic polarization and electrochemical noise (en) techniques. vanillinoffers interesting possibilities for corrosion inhibition due to its nontoxicity and high solubility inaqueous media. the best inhibition effect at 200 ppm vanillin was a marked characteristic of theinhibi...

we present detailed theoretical studies of the h-bonded complexes formed from interaction between 5-fluorouracil and various six-membered cyclic nitrosamine compounds. in this study, an investigation on intermolecular interactions in x-nu (x = ch2, sih2,bh, alh, nh, ph, o and s) complexes is carried out using density functional theory. the calculations are conducted on b3lyp/6-311++‏‏g** level ...

hydrogen bonds between C-3 OH and the carboxyl. It seems difficult to invoke an intermolecular hydrogen bond without having some sort of added hydrophobic contribution in aqueous solution. This kind of effect has been observed in aliphatic carboxylic acids-larger aliphatic chains leading to stronger dimerization effects in aqueous solution.32 To describe the 13C NMR shifts as due to intermolecu...

The title compound, C(17)H(15)NO(4), derived from L-tyrosine, crystallizes with three independent molecules which differ in the conformation of the asymmetric unit: the N-C-C-C(ipso) torsion angles are -71.7 (5), -63.6 (6) and -52.5 (5) degrees, respectively. Deformations in the phenol ring hydroxy O-C-C angles of 116.5 (4)/123.9 (4), 121.7 (5)/118.1 (4) and 122.4 (5)/118.6 (5) degrees, respect...

Hydrogen bonding is a key contributor to the specificity of intramolecular and intermolecular interactions in biological systems. Here, we develop an orientation-dependent hydrogen bonding potential based on the geometric characteristics of hydrogen bonds in high-resolution protein crystal structures, and evaluate it using four tests related to the prediction and design of protein structures an...