In the title complex, [V(C(15)H(12)N(2)O(4))(C(2)H(5)O)O], the V(V) ion is coordinated by an oxide O atom, an ethano-late anion and two O atoms and one N atom from the tridentate benzo-hydrazidate dianion in a distorted square-pyramidal geometry; the V atom is displaced by 0.4748 (8) Å from the basal plane towards the axial oxide O atom. An intra-molecular O-H⋯N hydrogen bond occurs in the benz...

In the title salt, [Sn(CH(3))(2)Cl(CH(4)N(3)S)]Cl, the Sn(IV) atom is five-coordinated in a distorted trigonal-bipyramidal geometry with two methyl groups and one S atom in the equatorial plane, and one N atom and one Cl atom occupying the apical positions. In the crystal, mol-ecules are linked by inter-molecular N-H⋯S hydrogen bonds with set graph-motif C(4) along [010]. N-H⋯ Cl hydrogen bonds...

In the title compound, C(8)H(11)N(3)O(2), the oxime and the acetyl groups adopt a transoid conformation, while the pyrazole H atom is localized in the proximity of the acetyl group and is cis with respect to the acetyl O atom. In the crystal, dimers are formed as the result of hydrogen-bonding inter-actions involving the pyrazole NH group of one mol-ecule and the carbonyl O atom of another. The...

This study focuses on RR, SS and RS medetomidine (MM) and inclusion of several achiral acids to distinguish which acid can help conglomerate formation instead of crystallizating racemic mixtures by defining the low-lying energy of their structures. Favorable orientation of acids was determined in interaction with the MM enantiomers after optimization. The most noticeable interactions include hy...

A new simple and sensitive detection tube to detect hydrogen cyanide in the air has been developed. The detection tube is based on the reaction of hydrogen cyanide with 4-nitrobenzil to form a violet colored product. The reaction takes place on a carrier made of a composite material, which was prepared by pelletization of a mixture of microcrystalline cellulose and MgO. The detection tube can d...

The title complex, [Co(C(7)H(4)NO(3)S)(2)(C(2)H(6)OS)(2)(H(2)O)(2)], contains a Co(2+) cation in an octa-hedral coordination environment. The metal atom is surrounded by two different neutral ligands, namely dimethyl-sulfoxide (DMSO) and water, each coordinating through the O atom. The anionic saccharinate (sac; 1,1,3-trioxo-2,3-dihydro-1λ(6),2-benzothia-zol-2-ide) ligand coordinates through th...

Pure rotational spectra of a prototypical prochiral ester, methyl benzoylformate (MBF), and the product of its enantioselective reduction, (R)-(-)-methyl mandelate (MM), were measured in the range of 5-16 GHz, using a cavity-based molecular beam Fourier-transform microwave spectrometer. Potential conformers were located using density functional theory calculations, and one conformer of each spe...

In each of the title isomeric compounds, C9H7.3N·C7H3.7ClNO4, (I), and C9H8N·C7H3ClNO4, (II), of iso-quinoline with 3-chloro-2-nitro-benzoic acid and 4-chloro-2-nitro-benzoic acid, the two components are linked by a short hydrogen bond between a base N atom and a carb-oxy O atom. In the hydrogen-bonded unit of (I), the H atom is disordered over two positions with N and O site occupancies of 0.3...

Experimental tests of quantum electro-dynamics (QED) have developed dramatically for simple atomic systems such as hydrogen. However, a range of anomalies has been discovered recently. There has also been significant progress for medium-Z hydrogenic and helium-like atoms. In this area tests are often based on X-ray spectroscopic measurements. Future prospects for critical insight into the natur...

The discrete spectrum of a q-analogue of the hydrogen atom is obtained from a deformation of the Pauli equations. As an alternative, the spectrum is derived from a deformation of the four-dimensional oscillator arising in the application of the Kustaanheimo-Stiefel transformation to the hydrogen atom. A model of the 2s−2p Dirac shift is proposed in the context of q-deformations.