The emerging role of supramolecular chemistry and crystal engineering in pharmaceutical science has been influenced significantly by the interest in pharmaceutical cocrystals. Pharmaceutical co-crystals are co-crystals that are formed between an API (active pharmaceutical ingredient) and a co-crystal former that is a solid under ambient conditions. APIs contain functional groups that engage in ...

The crystal structure of a designed phospholipid-inspired amphiphilic phosphopeptide at 0.8 Å resolution is presented. The phosphorylated β-hairpin peptide crystallizes to form a lamellar structure that is stabilized by intra- and intermolecular hydrogen bonding, including an extended β-sheet structure, as well as aromatic interactions. This first reported crystal structure of a two-tailed pept...

Two supramolecular isomers, [H2tpim·H4betc]·I (1) and [H2tpim·H4betc]·I3·2H2O (2), have been synthesized by one-pot reactions. Single-crystal to single-crystal transformations are observed between the two supramolecular isomers which are induced by release of in situ generated I2.

A 1-D helical tubular cadmium coordination polymer, [Cd(H2Me4bpz)(H2bidc)2]n (1, H2Me4bpz = 3,3',5,5'-tetramethyl-4,4'-bipyrazole; H3bidc = benzimidazole-5,6-dicarboxylic acid) was hydrothermally synthesized and characterized by means of elemental analyses, PXRD, IR, 2D IR correlation spectra, solid UV, TG analysis, luminescence spectroscopy and single crystal X-ray diffraction. The crystal str...

The single crystal X-ray diffraction studies of a new tripeptide motif Boc-Tyr-Aib-Xaa-OMe (Xaa = Leu/Ile/Ala) reveal that the peptides adopt β-turn conformations which self-assemble to form a supramolecular double helical structure using various non-covalent interactions in the solid state and the peptides exhibit a type-III N(2) sorption isotherm.

The X-ray crystal structure of natural commelinin is investigated. The results demonstrate that commelinin is a tetranuclear (4 Mg(2+)) metal complex, in which two Mg(2+) ions chelate to six anthocyanin molecules, while the other two Mg(2+) ions bind to six flavone molecules, stabilizing the commelinin complex, a new type of supramolecular complex.

The title compound, C26H40N2O2, has both its N atoms in trigonal-pyramidal geometries. The mol-ecular structure is stabilized by O-H⋯N and C-H⋯O hydrogen bonds. In the crystal, C-H⋯π inter-actions lead to the formation of a supramolecular helical chain along the b-axis direction.

The new coordination polymer, [Pb(L)(trans-1,4-chdc)] 1 (L = 1-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)naphthalen-2-ol and trans-1,4-H2chdc = trans-1,4-cyclohexanedicarboxylic acid), has been hydrothermally synthesized and characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. Crystal data: C31H24N4O5Pb, monoclinic, space group P21/c, a = 13.579(2), b = 9....

The single crystal X-ray diffraction study of capped γ-peptide reveal that the peptide adopts helical conformation which self-assemble to form a supramolecular parallel double helical structure using intermolecular hydrogen bonding as well as π-π stacking interactions in the solid state.

Self-organized supramolecular organic nanostructures have potential applications that include molecular electronics, photonics, and precursors for nanoporous catalysts. Accordingly, understanding how self-assembly is controlled by molecular architecture will enable the design of increasingly complex structures. We report a liquid crystal (LC) phase with a tetragonal three-dimensional unit cell ...