The bonding between two neutral aromatic compounds, especially small ones, has been controversially debated in the last decades, and terms like “π-stacking” had to be revised. Surprisingly, despite of many experimental computational work, there is still no clear consensus about structure pyridine dimer. In this for different isomeric forms dimer, structures were elucidated by combining high-res...

We develop a phenomenological vector model of polar liquids capable to describe aqueous interactions of macroscopic bodies. It is shown that a strong, long-range and orientationally dependent interaction between macroscopic objects appears as a result of competition between short-range (hydrogen bonding) and the long-range dipole-dipole interactions of the solvent molecules. Spontaneous polariz...

The structures of two compounds of L-tartaric acid with quinoline, viz. the proton-transfer compound quinolinium hydrogen (2R,3R)-tartrate monohydrate, C9H8N+.C4H5O6-.H2O, (I), and the anhydrous non-proton-transfer adduct with quinaldic acid, bis(quinolinium-2-carboxylate) (2R,3R)-tartaric acid, 2C10H7NO2.C4H6O6, (II), have been determined at 130 K. Compound (I) has a three-dimensional honeycom...

A new bulky pyrene-derived elongated cross-shaped organic scaffold was successfully incorporated into a highly porous, noninterpenetrated square-grid copper(II)-organic framework material with the unprecedentedly huge dimensions of 25.5 x 25.5 A(2), while the layer-to-layer NH...N interaction leads to a unique hydrogen-bonded 6(4).8(2)-nbo net.

Three end-capped para-benzoyl calixarene bonded silica gel stationary phases are prepared and characterized by elemental analysis, infrared spectroscopy, and thermal analysis. The comparison and selectivity of these phases are investigated by using PAHs, disubstituted benezene, and naphthalene positional isomers as probes. Possible separation mechanism based on the different interactions betwee...

Photoisomerization of a protein bound chromophore is the basis of light sensing of many photoreceptors. We tracked Z-to-E photoisomerization of Cph1 phytochrome chromophore PCB in the Pr form in real-time. Two different phycocyanobilin (PCB) ground state geometries with different ring D orientations have been identified. The pre-twisted and hydrogen bonded PCB(a) geometry exhibits a time consta...

The Cl- -C6H5CH3*Ar, Cl- -C6H5NH2*Ar, and Cl- -C6H5OH*Ar anion complexes are investigated using infrared photodissociation spectroscopy and ab initio calculations at the MP2/aug-cc-pVDZ level. The results indicate that for Cl- -C6H5NH2 and Cl- -C6H5OH, the Cl- anion is attached to the substituent group by a single near-linear hydrogen bond. For Cl--C6H5CH3, the Cl- is attached to an ortho-hydro...

THE CRYSTAL OF THE TITLE COMPOUND [SYSTEMATIC NAME: 4-(benzyl-amino)-benzene-sulfonamide], C(13)H(14)N(2)O(2)S, displays a hydrogen-bonded framework structure. Mol-ecules are doubly N-H⋯O hydrogen bonded to one another via their NH(2) groups and sulfonyl O atoms. These inter-actions generate a hydrogen-bonded ladder structure parallel to the a axis, which contains fused R(2) (2)(8) rings. The N...

The crystal structure of the title compound, C(11)H(13)ClF(3)N(3)O(4)S(3) (systematic name: 6-chloro-2-methyl-3-{[(2,2,2-trifluoro-eth-yl)sulfan-yl]meth-yl}-3,4-dihydro-2H-1,2,4-benzothia-diazine-7-sul-f-on-amide 1,1-diox-ide; CRN: 346-18-9), exhibits a two-dimensional network of hydrogen-bonded mol-ecules parallel to (01). The NH and NH(2) groups act as donor sites and the sulfonyl O atoms as ...