Three new supramolecular metal-coordination architectures [M(H2O)4(ampyz)2][M(H2O)6](SO4)2(H2O)2 (M = Co (1), Fe (2), and mixed Co/Fe (3); ampyz = 2-aminopyrazine) and a Cd(II) coordination polymer [Cd(ampyz)(H2O)2(SO4)]n(H2O)n (4) were synthesized by layered diffusion and structurally characterized. Compounds 1-3 are isomorphous. Monomeric complex units [M(H2O)4(ampyz)2]2+ are assembled by int...

N,N′,N″,N‴-Tetraisopropylpyrophosphoramide 1 is a pyrophosphoramide with documented butyrylcholinesterase inhibition, property shared the more widely studied octamethylphosphoramide (Schradan). Unlike Schradan, solid at room temperature making it one of few known solids. The crystal structure was determined by single-crystal X-ray diffraction and compared that other previously described pyropho...

In this work we present a structural and spectroscopic analysis of a copper(II) N-acetyl-5-arylidene tetramic acid by using both experimental and computational techniques. The crystal structure of the Cu(II) complex was determined by single crystal X-ray diffraction and shows that the copper ion lies on a centre of symmetry, with each ligand ion coordinated to two copper ions, forming a 2D shee...

In this work we determine the linear and non-linear optical properties of a Fluoro-N-Acylhydrazide derivative (FBHZ), using a combined supermolecule approach and an iterative scheme of electrostatic polarization, where the atoms of neighbouring molecules are represented by point charges. Our results for non-linear optics (NLO) are comparable to those found experimentally, suggesting that FBHZ c...

The crystal engineering of hydrogen bonded metal assemblies based on stilbene-type compounds is exploited in order to drive [2 + 2] cycloaddition in the solid state. Harmonization of hydrogen bonding and metal coordination is shown as an alternative supramolecular approach for the rational design of novel supramolecular photoreactive networks. This approach was extended to prepare five compound...

A novel manganese complex, C16H26MnN4O12, was synthesized by the reaction of nicotinoyl-glycine and NaOH in an ethanol/water solution and structurally characterized by elemental analysis, UV-vis spectrum, IR spectrum and single-crystal X-ray diffraction analysis. The crystal of the complex belongs to the triclinic space group P1 with a = 7.8192(16) Å, b = 8.8800(18) Å, c = 9.0142(18) Å, α = 83....

A central goal of chemistry is to fabricate supramolecular structures of defined function and composition. In biology, control of supramolecular synthesis is often achieved through precise control over nucleation and growth processes: A seed molecule initiates growth of a structure, but this growth is kinetically inhibited in the seed's absence. Here we show how such control can be systematical...

the mononuclear complex [cu(l)(ch3cn)(pph3)]clo4, (1), (l= 2,5-diphenyl-3,4-bis(2-pyridyl)cyclopenta-2,4-dien-1-one), has been synthesized and investigated by elemental analysis, ir, 1h nmr, uv-vis spectroscopic methods and x-ray diffraction. the complex crystallizes in the non-centrosymmetric space group p212121 in accord with the asymmetric (atropisomer) cu centre. its coordination polyhedron...