New 2,4-dihydro-1H-1,2,4-triazole-3-selones and 3,3'-di(4H-1,2,4-triazolyl)diselenides. Synthesis, biological evaluation, and in silico studies as antibacterial and fungicidal agents.

The reaction of aromatic ring-substituted isoselenocyanates with 2-thiopheacetic and 4-pyridinecarboxylic acid hydrazides yielded selenosemicarbazides which were further converted into previously unknown 1,2,4-triazole-3-selones and 3,3'-di(4H-1, 2,4-triazolyl)diselenides. The structures of the obtained compounds were studied by NMR spectroscopy, IR spectroscopy, and high-resolution mass spectroscopy (HR-MS). The bactericidal and fungicidal activity of some obtained compounds was evaluated in molecular modeling studies such as docking and simulation studies.

Facile Access to 2-Selenoxo-1,2,3,4-tetrahydro-4-quinazolinone Scaffolds and Corresponding Diselenides via Cyclization between Methyl Anthranilate and Isoselenocyanates: Synthesis and Structural Features.

A practical method for the synthesis of 2-selenoxo-1,2,3,4-tetrahydro-4-quinazolinone was reported. The latter compounds were found to undergo facile oxidation with HO into corresponding diselenides. Novel organoselenium derivatives were characterized by the H, Se, and C NMR spectroscopies, high-resolution electrospray ionization mass spectrometry, IR, elemental analyses (C, H, N), and X-ray diffraction analysis for several of them.

Complexes of 1-(2-R(F, CH, Cl)-phenyl)-1,4-dihydro-5H-tetrazole-5-thiones with cadmium chloride: Synthesis, molecular, crystal structures and computational investigation approach.

New complex compounds (I) - (IV) were synthesized by the reaction of 1-(2-fluorofluorophenyl) -1,4-dihydro-5H-tetrazole-5-thione (HL), 1-(2-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione (HL) and 1-(2-chlorochlorophenyl)-1,4-dihydro-5H-tetrazole-5-thione (HL) with cadmium chloride. By X-ray diffraction analysis, molecular and crystal structures of complexes (I), (II), (III) and (IV) are determined. (CIF files CCDC № 2,003,797 (I), 1,993,454 (II), 2,151,359 (III), 2,098,997 (IV)).

Correction: Novel cationic 1,2,4-selenadiazoles: synthesis addition of 2-pyridylselenyl halides to unactivated nitriles, structures and four-center Se⋯N contacts.

Correction for 'Novel cationic 1,2,4-selenadiazoles: synthesis addition of 2-pyridylselenyl halides to unactivated nitriles, structures and four-center Se⋯N contacts' by Victor N. Khrustalev , , 2021, , 10689-10691, DOI: 10.1039/D1DT01322J.

Novel cationic 1,2,4-selenadiazoles: synthesis via addition of 2-pyridylselenyl halides to unactivated nitriles, structures and four-center SeN contacts.

2-Pyridylselenyl halides undergo facile coupling with a triple CN bond of unactivated nitriles. Unprecedented heterocyclization allowed the preparation of a novel class of cationic 1,2,4-selenadiazoles in remarkably high yields. Cationic 1,2,4-selenadiazoles form supramolecular dimers in the crystal via SeN chalcogen bonding, which was studied theoretically.

Bromination of bis-(pyridin-2-yl) diselenide in methyl-ene chloride: the reaction mechanism and crystal structures of 1-pyridine-2-selenenyl dibromide and its cyclo-adduct with cyclo-pentene (3a,9a)-2,3,3a,9a-tetra-hydro-1-cyclo-penta-[4,5][1,3]selenazolo[3,2-]pyridinium bromide.

1-Pyridine-2-selenenyl dibromide, CHNSeBr, , is a product of the bromination of bis-(pyridin-2-yl) diselenide in methyl-ene chloride recrystallization from methanol. Compound is essentially zwitterionic: the negative charge resides on the SeBr moiety and the positive charge is delocalized over the pyridinium fragment. The C-Se distance of 1.

The synthesis and crystal structure of 2-(chloro-selan-yl)pyridine 1-oxide: the first monomeric organoselenenyl chloride stabilized by an intra-molecular secondary Se⋯O inter-action.

The title compound, CHClNOSe, is the product of the reaction of sulfuryl chloride and 2-selanyl-1-pyridine 1-oxide in di-chloro-methane. The mol-ecule has an almost planar geometry (r.m.

3-(4-Meth-oxy-phen-yl)-1,3-selenazolo[2,3-b][1,3]benzo-thia-zol-4-ium hydrogen sulfate.

The title compound, C16H12NOSSe(+)·HSO4 (-), was obtained from a mixture of 3-(4-meth-oxy-phen-yl)[1,3]selenazolo[2,3-b][1,3]benzo-thia-zol-4-ium chloride and potassium hydrogen sulfate. In the cation, the benzene ring is twisted by 71.62 (7)° from the tricycle mean plane.

Dichloridobis(pyridine-2-thiol-ato-κ²N,S)tin(IV): a new polymorph.

The title compound, [SnCl₂(C₅H₄NS)₂], is the product of reaction of 2,2'-dipyridyl disulfide with tin tetra-chloride. The Sn(IV) atom adopts a distorted octa-hedral geometry, with the two bidentate pyridine-2-thiol-ate ligands forming two planar four-membered chelate rings. The two Sn-Cl, two Sn-N and two Sn-S bonds are in cis, cis and trans configurations, respectively.

(7aR*,12bS*)-8,12b-Dihydro-7aH-indeno-[1',2':5,6][1,4]selenazino[2,3,4-ij]quinolin-13-ium hydrogen sulfate.

In the title compound, C(18)H(14)NSe(+)·HSO(4) (-), the cyclo-pentene ring in the cation has an envelope conformation while the central six-membered 1,4-selenazine ring adopts a sofa conformation. The dihedral angle between the planes of the terminal benzene rings is 68.08 (11)°.