Riboflavin and the adenosine derivative 5'-bromo-5'-deoxyadenosine form a crystalline 1:1 intermolecular complex, the structure of which has been solved by x-ray diffraction analysis. The adenine ring is found to be joined by two hydrogen bonds to the uracillike end of the riboflavin isoalloxazine ring. In addition, the riboflavin and the adenosine molecules associate through the formation of s...

A novel approach to constructing tunable and robust 2D binary molecular nanostructures on an inert graphite surface is presented. The guest molecules are embedded into a host molecular matrix and constrained via the formation of multiple intermolecular hydrogen bonds. By varying the binary molecular ratio and the molecular geometry, various molecular arrays with tunable intermolecular distances...

Chirality, Racemate, Amino Acids /V-Acetyl-L-alanine methylester crystallizes in the orthorhombic space group P2\2\2\ with one molecule in the asymmetric unit (a = 7.768(1), b = 9.606(1), c = 10.215(2) A, Z = 4). The individual molecules are linked into infinite strands by intermolecular hydrogen bonds between the amide hydrogen atom as donor and the acetyl oxygen atom as acceptor. The strands ...

A novel inorganic-organic hybrid supramolecular macrocyclic compound, (4-nitroanilinium) (18-crown-6)(PF6)(1), was synthesized and characterized by infrared spectroscopy, thermogravimetric analysis, elemental analysis, differential scanning calorimetry (DSC), and single-crystal X-ray diffraction. Crystal 1 is found to comprise 1D C–H···F–P hydrogen-bonded chains of (4-nitroanilinium+) (18-crown...

The R,R-2,3-bis (4-hydroxy-3-methoxyphenyl)methyl -1,4-butandiol lignan secoisolariciresinol (1) is a constituent of Gymnosperms used in the treatment of benign prostatic hyperplasya. The results of crystallographic and ab initio theoretical studies are reported and discussed. In the crystal, the molecule of (1) assumes a clustered conformation, characterized by the facing of the two phenyl rin...

An analysis of hydrogen bonds involving ester Osp3 atoms as acceptors has been performed based on the data extracted from the Cambridge Structural Database [Allen (2002). Acta Cryst. B58, 380-388; version 5.25, November 2003], using the ConQuest package to evaluate the stereochemical and electronic properties of the acceptors. Evidence for the existence of this particular type of hydrogen bond ...

A series of eight new Hg(II) complexes based on the L4-X ligands, where L is (E) -4-halo-N-(pyridin-4-ylmethylene)aniline, were synthesized and characterized and their supramolecular crystal structures were studied by different geometrical and theoretical methods. Our study reveals the role of weak intermolecular interactions involving halogens, such as C–H∙∙∙X hydrogen bonds (in the cases of 1...

The synthesis of heterocyclic thioureas from heterocyclic amines with phenylor methylisothiocyanate or CS2 is described. Seven new X-ray crystal structures are reported: In N-(3-pyridyl)-N0-phenylthiourea (Pna21, a = 10.1453(3), b = 17.6183(5), c = 6.4787(2), V = 1158.02(6), Z = 4) hydrogen-bonding results in formation of a 3D network consisting of helices, which form channels parallel to the c...

We perform molecular dynamics simulations to investigate hydrogen-bond dynamics of the TIP5P (transferable intermolecular potential with five points) model of water confined in a quasi-two-dimensional hydrophobic nanopore slit. We find that even if the average number and the lifetime of hydrogen bonds are affected by nanoconfinement, the characteristics of hydrogen-bond dynamics in hydrophobic ...