In the title compound, C(5)H(8)N(3) (+)·Cl(-), the cation and the anion lie on a mirror plane and are hydrogen bonded in a three-dimensional network via the H atoms of the two hydrazine N atoms. The pyridine N atom is protonated and hydrogen bonded to the terminal hydrazine N atom.

The title mol-ecule, C(30)H(28)N(2)O(4), has crystallographic twofold rotation symmetry, with the pyrrole planes forming a dihedral angle of 40.49 (4)°. The pyrrole N-H donor and adjacent ester carbonyl acceptor form R(2) (2)(10) hydrogen-bonded rings about inversion centers, leading to chains of hydrogen-bonded mol-ecules along [001].

In molecular dynamics simulations we found that water can form hydrogen-bonded water chains in the interior of carbon nanotubes. Water penetration is sensitive to details of thermodynamic conditions and interaction potentials, resulting in sharp, first-order like transitions between filled and empty states. Under wetting conditions, water molecules are transported efficiently through nanotubes....

In the title compound, C(17)H(18)N(4)O(5)·2C(3)H(7)NO, two solvent mol-ecules are linked to the main mol-ecule via N-H⋯O and O-H⋯O hydrogen bonds, forming a hydrogen-bonded trimer. Intra-molecular O-H⋯N hydrogen bonds influence the mol-ecular conformation of the main mol-ecule, and the two benzene rings form a dihedral angle of 10.55 (18)°. In the crystal, inter-molecular O-H⋯O hydrogen bonds l...

We describe hydrogen-bonded dimers of catechol that act collectively as a single template to direct an intermolecular [2+2] photocycloaddition in the solid state. The directed reactivity involves discrete, six-component hydrogen-bonded assemblies and a photoreaction that occurs stereoselectively and in quantitative yield.

This is the first report of experimental observations of depletion interactions in solutions of a (hydrogen-bonded) reversible supramolecular polymer. Depletion forces were measured directly by colloidal probe atomic force microscopy. The range of the depletion force is consistent with existing independent experimental data. The interaction can be tuned by adding monofunctional chain stoppers t...

Preparation and characterization of porous frameworks composed non-stoichiometrically mixed multicomponent molecules has been a challenge. In their Communication (e202215836), Ichiro Hisaki et al. demonstrate that cocrystallization hexahydropyrene pyrene derivatives yields such through hydrogen-bonded network. The composition ratio in the framework was determined crystallographically.

ab initio calculations at the density functional theory (dft) and the second-order møller−plessetperturbation theory levels with 6-31+g(d), 6-31g(d) basis sets for non-metal atoms and lanl2dzfor metal have been performed for the adsorption of dimethyl methylphosphonate (dmmp) on znoby gaussisn 98 program. the calculated rotational constants by b3lyp/6-31g(d) are in moreagreement with the experi...

X-ray absorption spectroscopy and x-ray Raman scattering were used to probe the molecular arrangement in the first coordination shell of liquid water. The local structure is characterized by comparison with bulk and surface of ordinary hexagonal ice Ih and with calculated spectra. Most molecules in liquid water are in two hydrogen-bonded configurations with one strong donor and one strong accep...

The mol-ecule of buthalital, (I) [systematic name: 5-(2-methyl-prop-yl)-5-(prop-2-en-1-yl)-2-sulfanyl-idene-1,3-diazinane-4,6-dione], C11H16N2O2S, exhibits a planar pyrimidine ring, whereas the pyrimidine ring of methitural, (II) [systematic name: 5-(1-methyl-but-yl)-5-[2-(methyl-sulfan-yl)eth-yl]-2-sulfanyl-idene-1,3-diazinane-4,6-dione], C12H20N2O2S2, is slightly puckered. (I) and (II) contai...