In the title compound, [Rh2(C8H8NO)4(C8H7N)], the four acetamidate ligands bridging the dirhodium core are arranged in a 2,2-trans manner. One Rh(II) atom is five-coordinate, in a distorted pyramidal geometry, while the other is six-coord-in-ate, with a disorted octa-hedral geometry. For the six-coord-inate Rh(II) atom, the axial nitrile ligand shows a non-linear Rh-nitrile coordination with an...

Reactions of β-azolyl enamines and nitrile oxides were studied by both experimental and theoretical methods. (E)-β-(4-Nitroimidazol-5-yl), (5-nitroimidazol-4-yl) and isoxazol-5-yl enamines smoothly react regioselectively at room temperature in dioxane solution with aryl, pyridyl, and cyclohexylhydroxamoyl chlorides without a catalyst or a base to form 4-azolylisoxazoles as the only products in ...

Cycloaddition reactions represent one of the most powerful processes in organic chemistry. The most common types of cycloaddition reactions are the Diels-Alder (DA) and the 1,3-dipolar cycloaddition reactions (1,3-DCs) which lead to five and six membered rings, respectively. In our ongoing efforts to contribute to the understanding of DA and 1,3-DCs; we studied the following using the B3LYP/6-3...

We report herein a radical-mediated amination of cyclopropenes. The transformation proceeds through cleavage the three-membered ring after addition an azide radical on strained double bond and leads to tetrasubstituted alkenyl nitrile derivatives upon loss N2. With 1,2-diaryl substituted cyclopropenes, this methodology could be extended one-pot synthesis highly functionalized polycyclic aromati...

During studies directed towards the discovery of nitrile hydrolysing enzymes from thermophiles, vanillin aldoxime was incubated with the thermophilic organism, Geobacillus sp. DDS012 isolated from Italian rye grass (Lolium multiflorum) silage. The predominant product was a dihydro-dimer, which could only be characterised by LC-MS. This was initially imagined to be the product of cycloaddition o...

The title compound, [Hg3(C6F4)3]·C6N4, contains one mol-ecule of tetra-cyano-ethyl-ene B per one mol-ecule of mercury macrocycle A, i.e., A•B, and crystallizes in the monoclinic space group C2/c. Macrocycle A and mol-ecule B both occupy special positions on a twofold rotation axis and the inversion centre, respectively. The supra-molecular unit [A•B] is built by the simultaneous coordination of...

The two title compounds are isomers of C6H3ClN2 containing a pyridine ring, a nitrile group, and a chloro substituent. The mol-ecules of each compound pack together in the solid state with offset face-to-face π-stacking, and inter-molecular C-H⋯Nnitrile and C-H⋯Npyridine inter-actions. 4-Chloro-pyridine-2-carbo-nitrile, (I), exhibits pairwise centrosymmetric head-to-head C-H⋯Nnitrile and C-H⋯Np...

Three different nitrile-containing amino acids, p-cyanophenylalanine, m-cyanophenylalanine, and S-cyanohomocysteine, have been introduced near the active site of the semisynthetic enzyme ribonuclease S (RNase S) to serve as probes of electrostatic fields. Vibrational Stark spectra, measured directly on the probe-modified proteins, confirm the predominance of the linear Stark tuning rate in desc...

The unimolecular photochemistry of 3,5-dimethylisoxazole (1) induced by a narrow-band tunable UV laser was studied using low-temperature matrix isolation coupled with infrared spectroscopy. Monomers of 1 were isolated in argon matrices at 15 K and characterized spectroscopically. Irradiation of matrix-isolated 1 at λ = 222 nm (near its absorption maximum) led to the corresponding 2H-azirine 3 a...

A nitrile hydratase (NHase) that specifically accepts the nitrile aeroplysinin-1 (1) as a substrate and converts it into the dienone amide verongiaquinol (7) was isolated, partially purified and characterized from the Mediterranean sponge Aplysina cavernicola; although it is currently not known whether the enzyme is of sponge origin or produced by its symbiotic microorganisms. The formation of ...