Category: Selected publications

P. Bombicz, IUCrJ (2024) 11, 1-2 The phenomenon and definition of isostructurality are discussed. It deserves reconsideration regarding the aspects of symmetry, measure of similarity and formation of supramolecular interactions. Investigation of isostructurality leads to a deeper understanding of closepackingprinciplesandcontributestotheabilityofcrystalengineering.Agiven packingmotifmay tolerate small molecular changes within a limit. Slight alterationsofacrystalpackingarrangementarecarriedoutinordertofine-tune thestructural andmacroscopicproperties, keepingthebalanceof thespatial requirementsandelectrostaticeffectsof thealteredmolecules inthecrystals, preservingtheirisostructurality.Evenso,thedefinitionofisostructuralityisnot explicitaboutseveral issues.Arethecorrespondingstructuresrequiredtohave the same stoichiometry, Z0, symmetryelements and the same spacegroup? Because it isnotobvious inthedefinition, studiesonstructureanalysisand softwarecalculatingvariousnumericaldescriptorsdevelopedforthequantitativecomparisonof thedegreeof similarityof isostructural crystalsself-define their criteria. The extent Read More …

Petra Bombicz*, Nóra V. May, Dániel Fegyverneki, Avirmed Saranchimeg, Laura Bereczki*, Cryst. Eng. Comm.  2020,22, 7193-7203 DOI: 10.1039/d0ce00410cInvited article to the themed issue on using “The Cambridge Structural Database – A wealth of knowledge gained from a million structures” inside back cover page. Impact factor: 3.382 (2019) Tools to describe isostructurality are important in the understanding of close packing principles and in the fine-tuning of crystal properties. In order to present how different methods work in practice, a series of Read More …

Nóra V. May, G. Tamás Gál, Zsolt Szentendrei, László Korecz, Zoltán May, Maria Grazia Ferlin, Annalisa Dean, Petra Bombicz and Valerio B. Di Marco New J. Chem., 2019,43, 10699-10710 Abstract The complementary solid state/solution studies of the systematic series of bioactive ligands 3-hydroxy-1-methyl-4-pyridinecarboxylate (L1), 3-hydroxy-1,2,6-trimethyl-4-pyridinecarboxylate (L2), 4-hydroxy-1-methyl-3-pyridinecarboxylate (L3), 4-hydroxy-1,6-dimethyl-3-pyridinecarboxylate (L4), 4-hydroxy-1-(2-hydroxyethyl)-6-methyl-3-pyridinecarboxylate (L5) and 4-hydroxy-1-(2-carboxyethyl)-6-methyl-3-pyridinecarboxylate (L6) with copper(II) have been performed in order to design efficient chelating drugs for the treatment of metal overloading conditions. Single crystals of [Cu(L1)2(H2O)]·3H2O (1) (monomer) Read More …

Veronika F. S. Pape, Nóra V. May, G. Tamás Gál, István Szatmári, Flóra Szeri, Ferenc Fülöp, Gergely Szakács* and Éva A. Enyedy* Dalton Trans., 2018, 47, 17032–17045 Abstract The anticancer activity of 8-hydroxyquinolines relies on complex formation with redox active copper and iron ions. Here we employ UV-visible spectrophotometry and EPR spectroscopy to compare proton dissociation and complex formation processes of the reference compound 8-hydroxyquinoline (Q-1) and three related Mannich bases to reveal possible correlations with biological activity. The studied Read More …

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 …

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 …