The aim of the J. Bolyai Research Scholarship is to cater for young researchers the possibility of realizing their research programs. The proposal of Nóra V. May, titled “Structural investigation of bioactive compounds by means of single crystal X-ray diffraction and electron paramagnetic resonance spectroscopy”, have been accepted.
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The way from isostructurality to polymorphy. Where are the borders? The role of supramolecular interactions and crystal symmetries.
Petra Bombicz Crystallography Reviews, 23(2), 118-151, 2017. ABSTRACT To produce substances with required physico-chemical properties demands the recognition of structural features of materials. It includes polymorphism and isostructurality which are strongly related with intermolecular interactions and crystal symmetries. Fine tuning of structural properties can be achieved by the application of substituents or in the case of multi-component systems by the introduction of molecules of different sizes, shapes and chemical compositions. How far can a crystal structure tolerate small molecular changes? Read More …
Exploring the boundaries of direct detection and characterization of labile isomers – a case study of copper(II)–dipeptide systems
Eszter Tóth, Nóra V. May, Antal Rockenbauer, Gábor Peintler and Béla Gyurcsik Dalton Trans., 2017,46, 8157-8166 ABSTRACT The investigation of the linkage isomers of biologically essential and kinetically labile metal complexes in aqueous solutions poses a challenge, as these microspecies cannot be separately studied. Therefore, derivatives are commonly used to initially determine the stability or spectral characteristics of at least one of the isomers. Here we directly detect the isomers, describe the metal ion coordination sphere, speciation and thermodynamic parameters by Read More …
Ivan Bernal and Roger Lalancette visited our laboratory
Prof Ivan Bernal from Houston University and Prof Roger Lalancette from Rudgers University, USA visited our laboratories on 9 June 2017. (Nóra V. May, Petra Bombicz, Roger Lalancette, Laura Nagyné Bereczki, Susan A. Bourne, Ivan Bernal)
Susan A. Bourne visited our laboratory
Prof. Susan A Bourne, the Head of Chemistry Department, the University of Cape Town, South Africa visited us between 7 and 12 June 2017 and delivered a lecture on Chromophoric framework solids for sensing and storage. Chromophoric framework solids for sensing and storage Susan A. Bourne Centre for Supramolecular Chemistry Research, Department of Chemistry, University of Cape Town Abstract Polymeric coordination compounds, and their subset metal-organic frameworks (MOFs) have provided a rich source of interest to researchers in Read More …
Petra Bombicz is in the Programme Committee of the triennial IUCr Congress
The congress will be held in Hyderabad, India in 2017. Petra Bombicz is the member of the European Chemical Crystallography group. https://www.iucr2017.org/
Structural, analytical and DSC references to resolution of 2-Methoxy-2-phenylacetic Acid with Chiral 1-Cyclohexylethylamines through Gas-Antisolvent Precipitation
Amit D. Zodge, Petra Bombicz, Edit Székely, György Pokol, János Madarász Thermochimica Acta, 648, 23-31, (2017) ABSTRACT The system of intermolecular interactions is very similar in the solid state of the chiral and racemic α-methoxyphenylacetic acids (α-MPAA) indicated by both Differential Scanning Calorimetry (DSC)and FTIR-spectroscopy, and even proved by single crystal structure determination. It makes the resolution of such a racemate compound challenging even by supercritical fluid xtraction. The chiral(S)-α-methoxyphenylacetic acid (1) crystallizes in orthorhombic crystal system (space group P212121,a Read More …
A novel 1,3,5-triaminocyclohexane-based tripodal ligand forms a unique tetra(pyrazolate)-bridged tricopper(II) core: solution equilibrium, structure and catecholase activity
Attila Szorcsik, Ferenc Matyuska, Attila Bényei, Nóra V. Nagy, Róbert K. Szilágyi and Tamás Gajda* Dalton Trans., 2016, 45, 14998-15012 ABSTRACT Copper(II) complexes of a polydentate tripodal ligand L × 3HCl (L = N,N’,N’’-tris(5-pyrazolylmethyl)-cis, cis-1,3,5-triaminocyclohexane) were characterized in both solution and solid states. Combined evaluation of potentiometric, UV-VIS, and EPR data indicated the formation of two mononuclear (CuHL, CuL) and three trinuclear (Cu3H−xL2, x = 2, 3, 4) complexes. The high stability and spectroscopic properties of the CuL species indicate Read More …
Symmetry-controlled rearrangements in Piedfort Units (PU) of 2,4,6-triaryloxy-1,3,5-triazines
Petra Bombicz, Nikoletta B. Báthori, Alajos Kálmán Struct. Chem., 26, 1611-1619, 2015 Abstract 2,4,6-triaryloxy-1,3,5-triazines (POT) form in general molecular diads, termed as Piedfort Units (PU), in their crystals and their clathrates. Their bulky phenyl substituents (R = Me, F, Cl, Br, I, CN) in ortho, meta or para position substantially hinder internal rotations. Instead, non-crystallographic rotations (ncr) or translations (nct) are the bridges between the semirigid homologues or analogues, occasionally polymorphs. They occur in the space groups R3c (161), Read More …
Strain-Driven Direct Cross-Aldol and -Ketol Reactions of Four-Membered Heterocyclic Ketones
Zoltán Dobi, Tamás Holczbauer, and Tibor Soós* Org. Lett., 2015, 17 (11), pp 2634–2637 Abstract Owing to the ring strain and α-heteroatom effect, the four-membered heterocyclic ketones can undergo direct cross-aldol and -ketol reactions without the need for preformed enol or “enolate-like” intermediates. Besides the organocatalyzed cross-ketol addition onto their highly active carbonyl group, their ability to act as a nucleophilic donor has also been explored. As a result, a number of discrete aldol adducts were synthesized and the distinct reactivities were successfully combined into Read More …