Search results for "BOND"
showing 10 items of 3527 documents
Darstellung und eigenschaften von formazanen aus polyacroleinen. Polymere acroleine, 17. Mitt.1
1960
Die Herstellung von verschiedenen, substituierten Polyacroleinphenylhydrazonen wird beschrieben. Durch Umsetzung mit Diazoniumsalzen entstehen Polymere mit Formazan-Gruppen. Diese lassen sich zu Tetrazolium-Gruppen dehydrieren. Die polymeren Formazane bilden bei geeigneten Substituenten mit Kupfer-und Uranyl-Ionen Komplexe und konnen daher als selektive Ionenaustauscher verwendet werden. Ferner werden einige polymere Azomethine beschrieben. The preparation of various substituted polyacroleinphenylhydrazones is reported. Polymers with formazane groups are obtained by the reaction of diazonium salts, which can be dehydrogenized to tetrazolium-groups. With suitable substitutes, the polymerie f…
Heterocyclic rearrangements. Synthesis of 1,2,4-oxadiazolo[2,3-a]pyrimidinium systems and their ring opening into pyrimidineN-oxides
1986
Reaction des methyl- et phenyl-5 amino-3 oxadiazoles-1,2,4 avec l'acetylacetone ou la benzoylacetone en presence d'acide perchlorique: obtention de methyl- et phenyl-2 methyl- et phenyl-5 methyl-7 oxadiazolo [2,3-a] pyrimidiniums-4 qui se decyclisent ensuite en oxydes-1 d'acylamino-2- et amino-2 methyl-4 methyl- et phenyl-6 pyrimidines
Stereoelectronic properties ofN-acetyl-α,β-dehydroamino acidN′-methylamides
1998
α,β-Dehydroamino acids are useful peptide modifiers. However, their stereoelectronic properties still remain insufficiently recognized. Based on FTIR experiments in the range ofvs(N-H), AI, AII andvs(Cα=Cβ) and ab initio calculations with B3LYP/6–31G*, we studied the solution conformational preferences and the amide electron density perturbation of Ac-ΔXaa-NHMe, where ΔXaa=ΔAla, (E)-ΔAbu, (Z)-ΔAbu, (Z)-ΔLeu, (Z)-ΔPhe and ΔVal. Each of these dehydroamides adopts a C5 structure, which in Ac-ΔAla-NHMe is fully extended and accompanied by the strong C5 hydrogen bond. Interaction with bond Cα=Cβ lessens the amidic resonance within the flanking amide groups. TheN-terminal C=O bond is noticeably s…
Advanced descriptors for long-range noncovalent interactions between SARS-CoV-2 spikes and polymer surfaces.
2021
The recent pandemic triggered numerous societal efforts aimed to control and limit the spread of SARS-CoV-2. One of these aspects is related on how the virion interacts with inanimate surfaces, which might be the source of secondary infection. Although recent works address the adsorption of the spike protein on surfaces, there is no information concerning the long-range interactions between spike and surfaces, experimented by the virion when is dispersed in the droplet before its possible adsorption. Some descriptors, namely the interaction potentials per single protein and global potentials, were calculated in this work. These descriptors, evaluated for the closed and open states of the sp…
Conformational studies of hexapeptides containing two dehydroamino acid residues in positions 3 and 5 in peptide chain
2008
Abstract Synthesis and structural studies of hexapeptides containing two dehydroamino acid residues in positions 3 and 5 in a peptide chain were performed. All the investigated peptides adopted bent conformations, stabilized by intramolecular hydrogen bonding, and could exist as two different conformers in solution. Only in the case of the peptide containing ΔAla residues, expected 3 10 -helical conformation was found.
Propane-1,3-diammonium molybdate
2019
The reaction between equimolar amounts of propane-1,3-diamine and molybdenum trioxide in water led to the formation of single crystals of the title salt, (C3H12N2)[MoO4]. The asymmetric unit is comprised of one propane-1,3-diammonium cation and one molybdate anion. The latter is isolated in the structure and has a slightly distorted tetrahedral configuration. An extensive network of N—H...O hydrogen bonds connects anions and cations, giving rise to a compact three-dimensional packing.
Methyl 3-(4-hydroxyphenyl)propionate
2018
The title compound, C10H12O3, crystallizes in the orthorhombicP212121space group. The structure contains a phenolic group with the OH being coplanar with the phenyl ring. The structure exhibits significant hydrogen bonding between the O—H group of one molecule and the CO group of an adjacent one. These O—H...O=C interactions form chains of molecules parallel to thebaxis. No π–π or C—H...π intermolecular interactions are observed.
Crystal structure of isobutylammonium hydrogen oxalate hemihydrate
2014
In the title hydrated molecular salt, C4H12N+·C2HO4−·0.5H2O, the O atom of the water molecule lies on a crystallographic twofold axis. The dihedral angle between the CO2and CO2H planes of the anion is 18.47 (8)°. In the crystal, the anions are connected to each other by strong near-linear O—H...O hydrogen bonds. The water molecules are located between the chains of anions and isobutylamine cations; their O atoms participate as donors and acceptors, respectively, in O—H...O and N—H...O hydrogen bonds, which form channels (dimensions = 4.615 and 3.387 Å) arranged parallel to [010].
Coordination complexes of chromium(0) with a series of 1,3-diphenyl-6-arylfulvenes
2018
The synthesis and structural properties of a series of chromium tricarbonyl `piano-stool' complexes bearing substituted pentafulvene ligands were studied. The complexes, tricarbonyl(1,3,6-triphenylfulvene)chromium(0) benzene hemisolvate, [Cr(C24H18)(CO)3]·0.5C6H6 (I), tricarbonyl[1,3-diphenyl-6-(3-vinylphenyl)fulvene]chromium(0), [Cr(C26H20)(CO)3] (II), and tricarbonyl[1,3-diphenyl-6-(pyren-1-yl)fulvene]chromium(0), [Cr(C34H22)(CO)3] (III), each have a distorted octahedral geometry, with the fulvene coordinated in a π–η2:π–η2:π–η2 fashion. Significant deviation of the exocyclic fulvene double bond from the cyclopentadiene plane accompanies coordination. Evidence of non-covalent π–π interact…
Crystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate
2015
The title compound, C17H18O5, was synthesized by a base-free catalytic Wittig reaction. The molecule consists of a diethyl itaconate unit, which is connectedviathe C=C double bond to a benzofuran moiety. The benzofuran ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through thecisandtransethoxycarbonyl groups, respectively. An intramolecular C—H...O hydrogen bond involving the O atom of the benzofuran moiety is observed. In the crystal, molecules are linked into ribbons running parallel to thebaxis by C—H...O hydrogen bonds.