In the title mol-ecule, C10H8O2, all non-H atoms are essentailly coplanar (r.m.s. deviation = 0.0192 Å), indicating an effective conjugation of the carbonyl group, the benzene ring and the lone pair of the propyn-yloxy O atom. In the crystal, π-π stacking inter-actions [centroid-centroid distance = 3.5585 (15) Å] connect mol-ecules into inversion dimers which are linked by Csp-H⋯O=C hydrogen bo...

Oligosilanes with attached silatranyl units were obtained by reactions of potassium oligosilanides with a silatranyl triflate. Interaction between Si and N atoms was observed in the 29Si NMR spectra (upfield-shifted SiO3 resonances) and in the solid-state structures (Si-N distances between 2.29 and 2.16 Å). The Si-N interaction can be "switched off" either by protonation of the nitrogen lone pa...

In the crystal structure of the title compound, C(19)H(18)Cl(2)N(2)O(4), N-H⋯O hydrogen bonds link the mol-ecules into infinite chains along the b axis. The structure also features weak C-H⋯O and C-H⋯Cl hydrogen bonds and C-H⋯π and (lone pair)⋯π inter-actions [Cl⋯centroid = 3.5871 (7) Å]. An intra-molecular N-H⋯O bond occurs.

We report solid state (1)H nuclear magnetic resonance spin-lattice relaxation experiments and X-ray diffractometry in 2-t-butyldimethylsilyloxy-6-bromonaphthalene. This compound offers an opportunity to simultaneously investigate, and differentiate between, the rotations of a t-butyl group [C(CH3)3] and its three constituent methyl groups (CH3) and, simultaneously, a pair of 'lone' methyl group...

The existing research on lone wolf terrorists and case experience are reviewed and interpreted through the lens of psychoanalytic theory. A number of characteristics of the lone wolf are enumerated: a personal grievance and moral outrage; the framing of an ideology; failure to affiliate with an extremist group; dependence on a virtual community found on the Internet; the thwarting of occupation...

A set of hypotheses is proposed that explains the anomeric specificity of aldopyranose dehydrogenases in terms of an evolutionarily selected function. The first hypothesis, based on stereoelectronic theory, argues that, in the "allowed" transition state for oxidation at the anomeric carbon, the two oxygens attached to the anomeric carbon each bear a lone pair of electrons antiperiplanar to the ...

A thorough search of the potential energy surface is carried out for heterodimers of water with C2ClnF4n. Three different types of interactions are observed. Structures dominated by a lone pair-π interaction have the highest binding energies, and are stabilized by charge transfer from O lone pairs of H2O to the C-C π* antibonding orbital of the alkene. Halogen-bonded O··Cl complexes are slightl...

The polarizability and second hyperpolarizability of fulvene, dimethylene-cyclobutene, trimethylene-cyclopropane, bicyclopentadiene-propane, bicyclopentadiene-propene, Dewar benzene, benzvalene and several of their anions are computed, employing a CNDO coupled Hartree-Fock procedure. The interaction of the lone pair on the anionic center with double and single bonds, the HOMO-LUMO gap, and subs...

In the title compound, C(27)H(26)P(2)S, the P-C-P angle is 114.33 (13)°. The bond distances are longer and the bond angles are smaller at the P atom bonded to the o-tolyl groups owing to the presence of a lone pair of electrons. One phenyl ring is disordered over three sites [occupancies 0.317 (8), 0.250 (8), and 0.433 (6)] and the other phenyl ring is disordered over two sites [occupancies 0.8...

During normal metabolic functions, highly reactive compounds called free radicals are generated in the body; however, they may also be introduced from the environment. These molecules are inherently unstable as they possess lone pair of electrons and hence become highly reactive. They react with cellular molecules such as proteins, lipids and carbohydrates, and denature them. As a result of thi...