The one-step synthesis of three imine boronic esters functionalized with pyridyl groups is described (1a-1c). presence or absence a methyl group affects the whole conformation, being bent “L” linear as determined by X-ray crystal diffraction. C–H⋯O, C–H⋯N, C–H⋯F and C–H … π hydrogen bond interactions support 2D supramolecular arrangements. Ligands were tested metal ion (M2+) sensors in solution...

Potential energy surfaces of N,N-hydrogen migration of pyrazole and 5-methyl pyrazole for the ground and triplet states were calculated by the ab initio molecular orbital methods. All potential energy surfaces for the N.N-hydrogen shift have high energy barriers. The occurrence of the structural change indispensable to the switching function is doubtful for pyrazole and 5-methyl pyrazole. The s...

A series of pyrazole carboxamide and isoxazolol pyrazole carboxylate derivatives were designed and synthesized in this study. The structures of the compounds were elucidated based on spectral data (infrared, proton nuclear magnetic resonance and mass spectroscopy). Then, all of the compounds were bioassayed in vitro against four types of phytopathogenic fungi (Alternaria porri, Marssonina coron...

BACKGROUND Special diphenyl-pyrazole compounds and in particular anle138b were found to reduce the progression of prion and Parkinson's disease in animal models. The therapeutic impact of these compounds was attributed to the modulation of α-synuclein and prion-protein aggregation related to these diseases. METHODS Photophysical and photochemical properties of the diphenyl-pyrazole compounds ...

Exposure of Escherichia coli to H2O2 leads to two kinetically distinguishable modes of killing: mode I killing occurs maximally near 2 mM H2O2, whereas mode II killing is essentially independent of H2O2 concentrations up to 20 mM. A major portion of H2O2 toxicity is attributed to DNA damage caused by the iron-mediated Fenton reaction. By studying DNA damage during Fenton reactions in vitro, the...

A new pyridine-2,3,5,6-tetracarboxylato-bridged Fe(III) complex with a K+ counter ion, K[Fe(H2pdtc)2] (1), was prepared from the reaction of Fe2(SO4)3 · 7H2O, pyridine-2,3,5,6-tetracarboxylic acid and KOH under ambient conditions. The complex has been characterized by singlecrystal and powder X-ray diffraction, IR spectroscopy, TG analysis, elemental analyses, and magnetic measurements. Through...

In the title pyrazole derivative, C(19)H(15)N(3)O, the central pyrazole ring makes dihedral angles of 42.71 (9) and 61.34 (9)°, respectively, with the phenyl and p-tolyl rings. The dihedral angle between the phenyl and p-tolyl rings is 58.22 (9)°. The 3-acetyl-1H-pyrazole-4-carbonitrile unit is essentially planar, with an r.m.s. deviation of 0.0295 (1) Å for the ten non-H atoms.

In the title compound, C(27)H(19)N(3)O(4), the phenol and pyrazole rings are almost coplanar [dihedral angle = 0.95 (12)°] due to an intra-molecular O-H⋯N hydrogen bond, whereas the phenyl ring is tilted by 40.81 (7)° with respect to the plane of the pyrazole ring. The aromatic ring with a nitro-phen-oxy substituent makes a dihedral angle of 54.10 (7)° with the pyrazole ring.

A series of asymmetrically carboxylate-bridged diiron(ii) complexes featuring fluorine atoms as NMR spectroscopic probes, [Fe2(PIM)(Ar(4F-Ph)CO2)2] (10), [Fe2(F2PIM)(Ar(Tol)CO2)2] (11), and [Fe2(F2PIM)(Ar(4F-Ph)CO2)2] (12), were prepared and characterized by X-ray crystallography, Mössbauer spectroscopy, and VT (19)F NMR spectroscopy. These complexes are part of a rare family of syn N-donor dii...