What is isostructurality? Questions on the definition

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 …

Sourav De participated in the 19th BCA/CCG Intensive Teaching School at Durham University (UK)

Sourav had the privilege of getting bursary support from IUCr to participate in the 19th BCA/CCG Intensive Teaching School on X-Ray Structure Analysis, organized by the Chemical Crystallography Group of the British Crystallographic Association. The event took place at Durham University, United Kingdom from March 25th to April 2nd, 2023. This intensive teaching school was specifically designed to provide a comprehensive understanding of the theoretical foundations of single crystal X-ray diffraction. The program consisted of a diverse range of activities, Read More …

Visiting student from University of Padova (Italy)

As part of the NEMZ-KI grant, Sara Franchi visited us for a week to perform single-crystal X-ray diffraction and EPR measurements. In addition to the successful work, he also got to know Budapest, and we also visited Szentendre and Visegrad. We are glad to have you as a guest in our lab, we hope to see you again next year. In the meantime, we wish you continued successful work! Summary of the project Radiometal-based radiopharmaceuticals offer a unique opportunity to Read More …

Inorganics Best Paper Award of 2021

The work of Laura Berecki in cooperation with László Kótai received the Inorganics Best Paper Award of 2021. Fogaça, L.A.; Bereczki, L.; Petruševski, V.M.; Barta-Holló, B.; Franguelli, F.P.; Mohai, M.; Béres, K.A.; Sajó, I.E.; Szilágyi, I.M.; Kotai, L. A Quasi-Intramolecular Solid-Phase Redox Reaction of Ammonia Ligands and Perchlorate Anion in Diamminesilver(I) Perchlorate. Inorganics 2021, 9, 38. https://doi.org/10.3390/inorganics9050038 Hearty congratulation!

Tamás Gyula Gál successfully defended his doctoral Thesis on 29th April 2022

Tamás Gyula Gál worked in our Research group between 2015 and 2020, in the Chemical Crystallography Research Laboratory of the Structure Research Center. He started his PhD study in 2016, one year after joining the group, at the Eötvös Loránd University, György Hevesy, Doctoral School of Chemistry, Faculty of Science. During his PhD work Tamás studied the structure of bioactive organic compounds and their metal complexes in solid phase by single crystal X-ray diffraction method. This included the exploration of Read More …

The winners of Alajos Kálmán award have been announced

We congratulate the two awardees of the Alajos Kálmán Prize: 2020: Prof Mátyás Czugler 2021: Prof László Párkányi The award ceremony will take place 10:00 Friday, 24 September 2021 at the Main Hall of the Fasori Evangélikus Gimnázium (H-1071 Budapest, Városligeti fasor 17-21.) during the annual meeting of the Hungarian Chemical Society. Prof László Párkányi delivers his awardee lecture with the title: “1976: turning point in crystallographic computing” It is an open lecture, everyone is welcome who are interested in.

6th European Crystallographic School

We are delighted to inform you that the organisation of the 6th European Crystallography virtual School to be held 4-10 July 2021 is progressing well. The move to the on-line platform is performed by the involvement of the Professional Conference Organisers AKCongress. The registration will be open in the middle of January 2021. Bursary for partial wave of the registration fee will be available thanks to the generosity of ECA and IUCr. Both bursary and the early bird registration deadline Read More …

Methods for easy recognition of isostructurality – lab jack-like crystal structures of halogenated 2-phenylbenzimidazoles.

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 …

Researcher’s Night

Crystals under Study The Chemical Crystallography Laboratory was open for visitors under the event of Researcher’s Night organised at 27.09.2019. Salt crystals of different origin and colouring components together with flower leafs and stamens could be look under the optical microscope. Visitors could also get to know the X-ray diffraction technique and take a closer look at the instrument.

Relationship between Solid State Structure and Solution Stability of Copper(II) – Hydroxypyridinecarboxylate Complexes

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 …