Copper(I) bromide-catalyzed amidation of 2-arylpyridine derivatives and 1-methylindoles with a variety of amides was achieved by employing tert-butyl peroxide (TBP) as oxidant. Aryl halides could be tolerated under the reaction conditions. Neither a special ligand nor a base was required for this amidation process.

Chemical bonding in the triclinic phase of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) has been analyzed based on the experimental electron density derived from X-ray diffraction data obtained at 20 K. The results have been compared with those from solid state theoretical calculations. The total electron density has been analyzed in terms of the Quantum Theory of Atoms in Molecules (QTAIM). Features of the covalent bonds demonstrate the presence of multiple bonds of various order. Strong intramolecular hydrogen bonds and weaker intermolecular bonds within the layer structure are characterized by the properties of their (3, −1) critical points. Weaker interactions, predominantly O···O, between the layers have additionally been characterized. Integrated atomic charges are also reported. The importance of correcting the primary X-ray data for λ/2 contamination is discussed.

The reaction of nitric oxide with benzyl cyanide in the presence of potassium methoxide at low temperature gave the dipotassium salt of a bis-diazeniumdiolate 2 in excellent yield. Two new stereospecific syntheses of E or Z 2-(hydroxyimino)-2-phenylacetonitrile from 2 have been found. The thermodynamics of the E/Z isomerization has been investigated spectroscopically in solution, in the solid state by differential scanning calorimetry (DSC), and theoretically in the gas phase. Evidence of catalysis by NO of E/Z oxime isomerization has been observed.

Herein, we report the conjugate addition of a,bunsaturated carbonyl compounds to thiophene derivatives. We used a2 -iodoimidazolinium triflate salt as ah alogenbonding donor,w hich afforded moderate-to-excellent yields of the corresponding alkylated thiophenes. Insight into the catalytic process was obtained from 1 HNMR spectroscopy studies and DFT calculations, which indicated ah alogenbonding-supportedm echanism with limited Brønsted acid catalysis.

Low-temperature X-ray and neutron diffraction experiments are used to characterize the electron-density distribution and intermolecular interactions in the insoluble carbonate salt of a 2,6-pyridine-bis(iminoguanidine), a potential CO2 sequestering agent. The importance of the hydrogen-bonding ability of the cation to the anion–water structure is discussed.