Crystal structure determination has long provided insight into structure and bonding of small molecules. When those same small molecules are designed to come together in multimolecular assemblies, such as in coordination cages, supramolecular architectures and organic-based frameworks, their crystallographic characteristics closely resemble biological macromolecules. This resemblance suggests t...

The crystal structures of a new polymorph and seven new derivatives of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine have been characterized and examined along with three structures from the literature to identify trends in their intermolecular contact patterns and packing arrangements in order to develop an insight into the crystallization behaviour of this class of compound. Seven unique C-H···X...

The new 1,3,5-tri-substituted and hexa-substituted benzoic methyl esters 1, 3 and benzoic acids 2, 4 have been synthesized. Single-crystal structure determinations of 1 – 3 are reported, which show specific molecular conformations and packings in the crystal. In all structures, the conformation of the molecules deviates considerably from threefold and sixfold symmetry, respectively. Columnar pa...

We describe the use of low-molecular-weight supramolecular gels as media for the growth of molecular crystals. Growth of a range of crystals of organic compounds, including pharmaceuticals, was achieved in bis(urea) gels. Low-molecular-weight supramolecular gelators allow access to an unlimited range of solvent systems, in contrast to conventional aqueous gels such as gelatin and agarose. A det...

The compound bisbenzothiazolium hexacholoridostannate(II) dihydrate was obtained and structurally characterized by single-crystal X-ray diffraction techniques. ionic crystallizes in the triclinic, space group P-1. environment of Sn ion is octahedral slightly deformed. Supramolecular architecture involves C—H…O, C—H…Cl N—H…O hydrogen bonds featuring p–p stacking interactions link molecules into ...

The peptide Boc-Val-Phe-OMe 1 bearing sequence similarity with the central hydrophobic cluster (CHC) of Alzheimer's Aβ(18-19) peptide self-assembles to produce amyloid-like straight unbranched fibrils as examined by atomic force microscopy and Congo red assay. Single crystal X-ray diffraction offers the atomic level structure of the supramolecular parallel β-sheet aggregation and antiparallel s...

the crystal structure of the title schiff base complex is obtained by single-crystal x-ray diffraction data.the solid state structure determination reveals that the coordination geometry around the copper(ii) center istetrahedrally distorted square-planar. the crystal packing shows one dimensional infinite chains which arisesfrom the intermolecular interaction and stabilize the crystal packing.

A new manganese(II) complex containing p-hydroxybenzoate and caffeine ligands, namely [Mn(OH-C6H4COO)2(H2O)4].2(C8H10N4O2).8H2O has been prepared. The synthesized complex has been characterized by elemental analyses, FT-IR spectroscopy, X-ray crystallography, and m...