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Two packing polymorphs of 5-hydroxy-1-(4-methylbenzyl)-3-chloro-4-[(4-chlorophenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one are studied by single-crystal and powder X-ray diffraction, IR spectroscopy, and differential scanning calorimetry. Classical hydrogen bonds and CL…O interactions have the fundamental importance for the formation of the supramolecular motif that is identical in both modifications. The difference relates to the packing of 2D layers which is “parallel” in the triclinic modification and of the “herringbone” type in the monoclinic modification. It is shown that close similarity between structural organizations of crystal lattices, which is typical of packing polymorphs, can be accompanied by significant differences between their energies as well as by a high potential barrier upon the transition from the metastable polymorph to its stable form.

This paper presents the results of a comparative study of rock samples from depth intervals of 1705–1728 m of Semilukian–Mendymian (domanik) deposits of the Berezovskaya area and 1379–1394 m of carbonate (domanikoid) deposits of the Dankovian–Lebedyanian horizon of the Zelenogorskaya area of the Romashkino oilfield. It has been shown that rocks with different mineral compositions differ in the content and composition of organic matter (OM), including kerogen, and its resistance to thermal impacts. The yield of extracts from the rocks and the differences in their group, structural-group, and hydrocarbon-group compositions have been determined. According to the molecular-mass distribution of normal and isoprenoid alkanes, the extracts from the rocks are oils of types A1 and A2. Peculiarities in the distribution of higher biomarkers have been revealed, indicating that the hydrocarbons of the examined samples of domanik and domanikoid rocks are genetically uniform in nature, but differ in the geochemical environment of the transformation of the original OM and, possibly, in the effect of migration processes.

Study was conducted of rocks composition and its extracted moving hydrocarbons from Domanic deposits of Tatarstan, differing in location and occurrence depth from 1379 to 1891 m. The rocks are repr...

This work deals with polyfunctional biocompatible amphiphilic isatin derivatives. Isatin-3-acylhydrazones containing a quaternary ammonium moiety (Is-Q-n) with varying hydrophobicity (R = CnH2n+1, where n = 10, 12, 14, 16, 18, 20) were synthesized. Tunable self-assembly behavior, morphology of nanostructures, and their biological activity were modulated by hydrophilic-lipophilic balance of π-amphiphiles and solvent polarity. Self-assembly of Is-Q-n was investigated by tensiometry, conductometry, IR and UV–Vis spectroscopy, fluorimetry and dynamic light scattering. The unexpected values of the physicochemical parameters at long alkyl chain length have been interpreted. The CAC of Is-Q-16 is lower than CMC of classical surfactant CTAB. Solvent-induced self-assembly for Is-Q-16 was observed. The hydrophobic dye Orange OT was solubilized in Is-Q-10 solutions twice better than in CTAB solutions. Is-Q-n self-assembled structures with size 50 nm and 100 nm in a concentration range from 0.01 mM (below CAC) to 10 mM were found. Is-Q-10 forms small associates with size 3 nm. Selective antimicrobial activity of low toxic ammonium salts against Gram-positive bacteria (S. aureus 209p and B. cereus 8035) and fungus Candida albiсans 855–653 was shown. Newly synthesized 1-dodecylisatin derivatives containing a quaternary ammonium moiety may be recommended as antimicrobial agents and for drug solubilization, in particular for drugs capable for π-π stacking interactions.

The IR and Raman spectra of P 0 ′ and P 4 ′ dendrimers built from an octasubstituted metal-free phthalocyanine core with oxybenzaldehyde terminal groups have been recorded. The phthalocyanine core was used as a probe for analyzing the properties of the internal structure. The structural optimization and normal mode analysis were performed for P 0 ′ dendrimer on the basis of the density functional theory (DFT). It was found that the P 0 ′ molecule exists in a stable conformation with planar phthalocyanine core. The calculated geometrical parameters and harmonic vibrational frequencies are predicted in a good agreement with the experimental data. The experimental IR spectra of P1 dendrimer were interpreted by means of potential energy distributions. Relying on DFT calculations a complete vibrational assignment is proposed. The difference IR and Raman spectra of molecules built from the thiophosphoryl and phthalocyanine cores with the same repeating units and terminal groups were studied in order to underline the role of the core functionality on the dendrimer architecture.

Peculiar features of the molecular structure, isomeric composition, and hydrogen bonding in new, potentially physiologically active γ-oxime alkylphosphonates were established.

Crystalline specimens of homochiral and racemic glycidyl p-toluenesulfonate were studied by IR spectroscopy, differential scanning calorimetry, and X-ray diffraction analysis. The melting phase diagram of glycidyl p-toluenesulfonate was constructed. The stacking effect in the crystals of the racemic sulfonate is responsible for a more dense molecular packing, with the result that a heterochiral type of crystallization becomes more favorable.

The reaction of [60]fullerene with diphenylphosphinoyl azide in toluene or ino-dichlorobenzene in the presence of traces of water affords 2-[N-(diphenylphosphoryl)amino]-1-hydroxy[60]fullerene This reaction in THF gives a mixture of (N-diphenylphosphoryl)[60]fullerenol[1,2-b]aziridine and a product of partial hydrolysis of the bisadduct of phosphorylated azide and fullerene.

The reactions of phosphine derivatives of diallyl isocyanurates with palladium(ii) dichloride lead to the formation of complexes, whose structure, composition, and stability depend on the length of the methylene chain between the isocyanurate and diphenylphosphine fragments in the ligand. 1,3-Diallyl-5-[5′-(diphenylphosphino)pentyl and 10′-(diphenyl-phosphino)decyl] isocyanurates with PdCl2 form monomeric L2PdCl2trans-complexes in which P atoms of the ligands participate in coordination with the metal. 1,3-Diallyl-5-[2′-(diphenylphosphino)ethyl] isocyanurate with PdCl2 forms a dimeric (LPdCl2)2 complex, which decomposes in a solution to the monomer including solvent molecule into the coordination sphere of the metal. The reactions of 1,3-diallyl-5-[4′-(diphenylphosphino)butyl] isocyanurate and 1,3-diallyl-5-[6′-(diphenylphosphino)hexyl] isocyanurate with PdCl2 give monomeric chelate LPdCl2 complexes in which one of the allyl groups of the isocyanurate cycle participates in coordination with the central ion along with the phosphorus atom.

New arsenic (III) derivatives of 4-methoxyphenyldithio- and trithiophosphonic acids were obtained in the reactions of LawessoN′s reagent with arsenic (III) alkoxides.

Acetaldehyde and butyraldehyde azines and 1,2-bis(tert-butylimino)ethane add only one molecule of dialkyl H-phosphonate at room temperature to form alkyl (α-aminoalkyl)phosphonates. IR spectra of compounds obtained are discussed.

The reaction of (diisopropoxyphosphoryl)nitrile oxide with C60 leads to mono- and diadducts, which are characterized by 1H, 13C, 31P NMR, IR and UV-VIS spectroscopy as isoxazoline derivatives of fullerene; the addition takes place across a 6,6 ring junction.

The reaction of [60]fullerene with diphenylphosphinoyl azide in toluene or ino-dichlorobenzene in the presence of traces of water affords 2-[N-(diphenylphosphoryl)amino]-1-hydroxy[60]fullerene This reaction in THF gives a mixture of (N-diphenylphosphoryl)[60]fullerenol[1,2-b]aziridine and a product of partial hydrolysis of the bisadduct of phosphorylated azide and fullerene.

The drug, dimephosphone, in aqueous media has two most probable conformers. The formation of hydrogen bonds with water and complexes with SnCl4 in acetonitrile involves the phosphoryl oxygen atom. Complexation favors some of the dimephosphone conformers.

The reaction of (diisopropoxyphosphoryl)nitrile oxide with C60 leads to mono- and diadducts, which are characterized by 1H, 13C, 31P NMR, IR and UV-VIS spectroscopy as isoxazoline derivatives of fullerene; the addition takes place across a 6,6 ring junction.

Dialkyl phosphonates bind to the C=N bond of bis(benzylideneimino)toluene, with formation of dialkyl (benzylideneimino)benzylaminobenzyl phosphonates. The complicated character of IR spectra of these compounds is connected with the possibility of formation of dimeric cyclic associates and intramolecular hydrogen bonding. Phosphinic acid reacts with bis(benzylidenimino)toluene in a 2: 1 ratio to affordN,N′-benzylidenebis(α-amino-benzytphosphonic) acid.

Acetaldehyde and butyraldehyde azines and 1,2-bis(tert-butylimino)ethane add only one molecule of dialkyl H-phosphonate at room temperature to form alkyl (α-aminoalkyl)phosphonates. IR spectra of compounds obtained are discussed.

Data on the structure of cycloadducts of organophosphorus dipolar reagents and fullerenes arc absent, to our knowledge. We died the reactions and the shucturc of cycloadducts of phosphorylated azidcs and nitrile oxide with [60]fullcrcnc. The cycloaddition of diphcnylphosphinic llzide to fullcrme has bcm determined to lead to the 1 -[(N-diphenylphosphoryl)amino]-2-hydroxy[6O]hllcrme (l), the mixhuc of phosphorylated aziridinofullcrcne (2) and derivative of fullerne (3) with one aziridine fragment and one aminohydmxy-fragment, or to product (4), depending on the conditions of don .

1. The IR and Raman spectra of the methyl selenophosphonates and methyl selenophosphinates: (CH3O)2P(Se)CH3, CH3OP(Se) (C2H5)2, and CH3OP(Se) (C6H5)2 were studied in various phase states and in solvents, and with a variation in the temperature. The vibration bands of the P=Se group were assigned. 2. A thermodynamic equilibrium of at least two steric forms of the molecule was detected in the first two compounds. The isomers arise as the result of one methoxy group rotating from the gauche position with respect to the P=Se bond to the trans position, with a gauche orientation of the other groupings. 3. The relative amount of the isomers in the mixture and the thermodynamic parameters of the equilibrium were determined. 4. The steric conditions created by the two aryl radicals in the third compound lead to a stabilization of one predominant conformer in all of the states of the compound, with a gauche orientation of the OCH3 with respect to the P=Se bond.