ID: 1976
/ Poster - 49 Non-covalent: 1
Poster session abstracts
Poster
Poster session abstracts
Radomír Kužel
ID: 1401
/ Poster - 49 Non-covalent: 2
Chemical crystallography, crystal structures
Poster
MS: Non-covalent interactions in crystal engineeringPosters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics)Keywords: host-guest complexes, macrocycle, pillar[n]arene
How guest molecules affect on the self-assembly of carboxylated pillar[5]arene in its complexes
Helena Lidia Butkiewicz, Sandra Kosiorek, Volodymyr Sashuk, Oksana Danylyuk
Insitute of Physical Chemistry Polish Academy of Sciences, Warsaw, Poland
ID: 449
/ Poster - 49 Non-covalent: 3
Bursary application
Poster
MS: Non-covalent interactions in crystal engineeringPosters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics)Keywords: stacking, RAHB, CSD
Supramolecular arrangements in the crystal structures and the interaction energy calculations of resonance-assisted hydrogen-bridged (RAHB) rings - RAHB/RAHB and RAHB/C6-aromatic contacts
Jelena Blagojevic Filipovic1, Snezana Zaric2
1Innovation Center of the Faculty of Chemistry, Belgrade, Serbia; 2Faculty of Chemistry, University of Belgrade, Serbia
Bibliography
Chapters in Books
J. P. Blagojević Filipović, M. B. Hall, S. D. Zarić, Stacking Interaction Potential Energy Surfaces of Square-Planar Metal Complexes Containing Chelate Rings, Advances in Inorganic Chemistry, Rudi van Eldik and Ralph Puchta, Elsevier, March, 2019.
Works in Scientific Journals
I. M. Stanković, J. P. Blagojević Filipović, S. D. Zarić, Carbohydrate – Protein Aromatic Ring Interactions Beyond CH/π Interactions: A Protein Data Bank Survey And Quantum Chemical Calculations, Int. J. Biol. Macromol, 2020, accepted.
D. P. Malenov, J. P. Blagojević Filipović, S. D. Zarić, Stacking interactions of the methylated cyclopentadienyl ligands in the crystal structures of transition metal complexes, 2020, Acta Cryst. B76, DOI: 10.1107/S2052520620002206.
D. B. Ninković, J. P. Blagojević Filipović, M. B. Hall, E. N. Brothers, S. D. Zarić, What Is Special about Aromatic−Aromatic Interactions? Significant Attraction at Large Horizontal Displacement, 2020, ACS Central Science, DOI: 10.1021/acscentsci.0c00005.
J. P. Blagojević Filipović, M. B. Hall, S. D. Zarić, Stacking Interactions of Resonance-Assisted Hydrogen-Bridged Rings. A Systematic Study of Crystal Structures and Quantum- Chemical Calculations. Cryst. Growth Des., 2019, 19, 5619-5628.
J. P. Blagojević, D. Ž. Veljković, S. D. Zarić, Stacking interactions between hydrogen-bridged and aromatic rings: study of crystal structures and quantum chemical calculations, CrystEngComm, 2017, 19, 40 - 46.
J. P. Blagojević, G. V. Janjić, .S D. Zarić , Very Strong Parallel Interactions Between Two Saturated Acyclic Groups Closed with Intramolecular Hydrogen Bonds Forming Hydrogen-Bridged Rings, Crystals, 2016, 6, 34.
J. P. Blagojević, S. D. Zarić, Stacking interactions of hydrogen-bridged rings stronger than stacking of benzene molecules, Chem. Commun, 2015, 51, 12989 - 12991.
D. Z. Vojislavljević-Vasilev, G. V. Janjić, V. B. Medaković, J. P. Blagojević, S. D. Zarić, Parallel Water/Aromatic Interactions of Non-Coordinated and Coordinated Water, ChemPhysChem, 2014, 15, 2386 – 2396.
Conferences
J. P. Blagojević Filipović, S. D. Zarić, Stacking Interactions of Planar Hydrogen-Bridged Rings, 1st International Conferences on Noncovalent Interactions (ICNI-2019), Lisbon, Portugal, 2019.
J. P. Blagojević Filipović, S. D. Zarić, Stacking Interactions of С6-aromatic rings and six-memberd resonance-assisted hydrogen-bridged rings, XXVI Conference of Serbian Crystallographic Society, Srebrno Jezero, Serbia, 2019.
J. P. Blagojević Filipović, S. D. Zarić, Crystallographic and quantum-chemical study of stacking interactions of resonance-assisted hydrogen-bridged rings, 7th Conference of the Young Chemists of Serbia, Belgrade, Serbia, 2019.
D. P. Malenov, J. P. Blagojević Filipović, M. B. Hall, S. D. Zarić, Stacking interactions of metal-chelate and hydrogen-bridged rings, Molecular Modeling in Chemistry and Biochemistry, Babes-Bolyai University, Cluj-Napoca, Romania, 2018.
J. P. Blagojević Filipović, M. B. Hall, S. D. Zarić, Stacking Interactions of Hydrogen-Bridged Rings. Analyses of Crystal Structures and Quantum Chemical Calculations, 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry, Society of Physical Chemists of Serbia, Belgrade, Serbia, 2018.
I. M. Stanković, J. P. Blagojević Filipović, S. D. Zarić, Interactions between Carbohydrates and Aromatic Amino Acids: A Crystallographic Survey, 25th Conference of the Serbian Crystallographic Society, Bajina Bašta, Serbia, 2018.
J. P. Blagojević Filipović, S. D. Zarić, Stacking Interactions of Resonance-Assisted Hydrogen- -Bridged Rings, 25th Conference of the Serbian Crystallographic Society, Bajina Bašta, Serbia, 2018.
J. P. Blagojević Filipović, D. Ž. Veljković, S. D. Zarić, Stacking Interactions between Hydrogen-Bridged Rings and C6-Aromatic Rings, 24th Conference of the Serbian Crystallographic Society, Vršac, Serbia, 2017.
J. P. Blagojević, S. D. Zarić, Stacking Interaction of Planar Saturated Hydrogen-Bridged Rings, 23th Conference of the Serbian Crystallographic Society, Andrevlje, Serbia, 2016.
G. V. Janjić, D. Z. Vojislavljević-Vasilev, V. B. Medaković, J. P. Blagojević, S. D. Zarić, The distribution of water molecules around C6-aromatic ring in crystal structures of small molecules and proteins, Summer School on Applied Supramolecular Chemistry, Belgrade, Serbia, 2014.
G. V. Janjić, V. B. Medaković, J. P. Blagojević, D. Z. Vojislavljević-Vasilev, S. D. Zarić, The Influence of Supramolecular Structures in Crystals on Interactions of Water Molecules and Aromatic Rings ., 21th Conference of the Serbian Crystallographic Society, Užice, Serbia, 2014.
D. Z. Vojislavljević, V. B. Medaković, J. P. Blagojević, G. V. Janjić, S. D. Zarić, Interactions between water molecule and C6-aromatic group with parallel-down orientation, International Summer School on Supramolecular Chemistry, Serbia, 2013.
J. P. Blagojević, D. Z. Vojislavljević, G. V. Janjić, S. D. Zarić, The study of parallel interactions between coordinating water molecule and aromatic group, International Workshop – Sensing Applications of Supramolecular Chemistry, Plovdiv, Bulgaria, 2013.
J. P. Blagojević, D. Z. Vojislavljević-Vasilev, А. S. Marković, G. V. Janjić, S. D. Zarić, Parallel alignment interactions of Coordinating Water Molecule and C6-Aromatic Group, 20th Conference of the Serbian Crystallographic Society, Avala, Serbia, 2013.
A. S. Marković, Z. Jović, J. P. Blagojević, D. Z. Vojislavljević, J. Andrić, G. V. Janjić, S. D. Zarić, Influence of Aqua Ligands’ Orientation on Stability of Aqua-Metal Complexes, 1st Conference of the Young Chemists of Serbia, Belgrade, Serbia, 2012.
Z. Jović, A. S. Marković, J. P. Blagojević, D. Z. Vojislavljević, J. Andrić, G. V. Janjić, S. D. Zarić, Orientations of Aqua Ligands in Crystal Structure of Hexaaqua-Metal Complexes, 19th Conference of the Serbian Crystallographic Society, Bela Crkva, Serbia, 2012.
D. Z. Vojislavljević, J. P. Blagojević, G. V. Janjić, D. Ž. Veljković, S. D. Zarić, Theoretical Study of O-H/π Interactions between Coordinated and Non-Coordinated Water Molecule with C6-Aromatic Ring, 49th Meeting of the Serbian Chemical Society, Kragujevac, Serbia, 2011.
ID: 862
/ Poster - 49 Non-covalent: 4
Chemical crystallography, crystal structures
Oral/poster
MS: Non-covalent interactions in crystal engineeringKeywords: polymorphism; co-crystal; Ag(I) coordination polymer; curcumin; ethylcellulose
Polymorphism and structural characterization of a Silver(I) coordination polymer: an inorganic-polymer co-former in the preparation of curcumin containing co-crystals
Francesca Scarpelli1, Massimo La Deda1, Giuseppe Di Maio1, Renata De Rose1, Iolinda Aiello1, Mario Amati2, Alessandra Crispini1
1Università della Calabria, Arcavacata di Rende , Italy; 2Università della Basilicata, Potenza, Italy
ID: 1054
/ Poster - 49 Non-covalent: 5
Chemical crystallography, crystal structures
Poster
MS: Non-covalent interactions in crystal engineeringPosters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics)Keywords: enantiomer separation, double salt, stereochemistry, hydrogen bonding, halogen interactions
A bug in enantiomer separation: double salt formation – diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate
Sourav De1, Laura Bereczki1,2, Amit Zodge3, Márton Kőrösi3, Tamás Holczbauer1,4, Edit Székely3, Petra Bombicz1
1Chemical Crystallography Research Laboratory, Research Centre for Natural Sciences, Hungary; 2Plasma Chemistry Research Group, Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences, Hungary; 3Department of Chemical and Environmental Process Engineering, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Budapest, Hungary; 4Organocatalysis Research Group, Institute of Organic Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Budapest, Hungary
ID: 1211
/ Poster - 49 Non-covalent: 6
Chemical crystallography, crystal structures
Poster
MS: Non-covalent interactions in crystal engineeringKeywords: Clopamide, solvatomorphs, polymorphs, isostructural, copper(II) complexes
Structural study of Clopamide drug and copper (II) complexes under different crystallization conditions
G. Tamás Gál, Nóra V. May, Petra Bombicz
Centre for Structural Science, Research Centre for Natural Sciences, Budapest, Hungary
ID: 118
/ Poster - 49 Non-covalent: 7
Chemical crystallography, crystal structures
Poster
MS: Non-covalent interactions in crystal engineeringPosters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics)Keywords: CSD, Intermolecular interactions, metallocenes, electrostatic complementarity
Interaction between metallocene units
Goran A. Bogdanovic, Sladjana B. Novakovic
Vinca Institute of Nuclear Sciences, University of Belgrade, Belgrade, Serbia
ID: 1070
/ Poster - 49 Non-covalent: 8
Chemical crystallography, crystal structures
Oral/poster
MS: Non-covalent interactions in crystal engineeringKeywords: aromatic stacking; H-bonds; halogen interactions; molecular conformation; molecular Voronoi surface
Two sides of a molecular surface for analysis of non-covalent interactions
Anna V. Vologzhanina, Alexander A. Korlyukov
A.N. Nesmeyanov Institute of Organoelement Compounds, RAS, Moscow, Russian Federation
ID: 1696
/ Poster - 49 Non-covalent: 9
Poster sessions
Poster
Posters only: Non-covalent interactions in crystal engineeringKeywords: cocrystals; purine alkaloids; grinding cocrystallization; supramolecular synthons; X-ray structural analysis
Synthesis and supramolecular analysis of novel purine alkaloid cocrystals with trimesic and hemimellitic acids
Mateusz Gołdyn, Daria Larowska, Elżbieta Bartoszak-Adamska, Weronika Nowak
Department of Chemistry, Adam Mickiewicz University, 61-614 Poznań, Poland
ID: 1421
/ Poster - 49 Non-covalent: 11
Chemical crystallography, crystal structures
Poster
MS: Non-covalent interactions in crystal engineeringKeywords: Crystal Engineering, Polymorphism, Halogen Bonding, Organic Co-Crystals
Tailoring Crystal Structures and Polymorphs of Halogen-Bonded Supramolecular Assemblies: Co-Crystals of Hexahalogenated Benzenes and 2,3,5,6-Tetramethylpyrazine
Rama K. El-khawaldeh, Shubha S. Gunaga, David L. Bryce
Department of Chemistry & Biomolecular Sciences, University of Ottawa, Ottawa, Canada
ID: 1047
/ Poster - 49 Non-covalent: 13
Chemical crystallography, crystal structures
Oral/poster
MS: Non-covalent interactions in crystal engineeringKeywords: Organic-inorganic hybrid compound, rhodium (III) halide; iron (III) halide; α, ω-diammonioalkane, crystal engineering; non-covalent intermolecular interactions
Synthesis and single crystal structure determination of a new mixed-metal organic–inorganic hybrid of discrete transition metal halide complexes and α, ω-diammonioalkane assembled through non-covalent intermolecular interactions : [NH3(CH2)6NH3]4[RhCl6][FeCl4]Cl4
Mahsa Armaghan, Walter Frank
Heinrich Heine University of Duesseldorf, Düsseldorf, Germany
ID: 471
/ Poster - 49 Non-covalent: 14
Bursary application
Oral/poster
MS: Non-covalent interactions in crystal engineeringKeywords: steric hindrance; hydrogen bond; hydrates; amine;
Influence of steric hindrance on the hydrates formation. The case of 2,2,6,6-tetramethylpiperidine and 3,3,5,5-tetramethylmorpholine
Pawel Socha, Bernadeta Prus, Łukasz Dobrzycki, Roland Boese, Michal Ksawery Cyrański
University of Warsaw, Warsaw, Poland
Bibliography
1. P. Socha, B. Prus, Ł. Dobrzycki, R. Boese, M. K. Cyrański, “Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine – a structural and computational study”, CrystEngComm, 23 (2021), 1251-12621
2. F. D. Mendi, A. Sh. Saljooghi, M. Ramezani, R. Kruszynski ,M. Poupon, M. Kucerakova, V. Huch, P. Socha, M. Babaei, M. Alibolandi, “Five new complexes with deferiprone and N,N-donor ligands: evaluation of cytotoxicity against breast cancer MCF-7 cell line and HSA-binding determination”, Journal of Biomolecular Structure
and Dynamics,(2020), DOI: 10.1080/07391102.2020.1782769
3. T. Wojciechowski, Z. Ochal, P. Socha, Ł. Dobrzycki, W. Ziemkowska, „Reactions of β‐keto sulfones with t‐butyl aluminum compounds: Reinvestigation of tri‐t‐butyl aluminum synthesis”, Applied Organometallic Chemistry,
34 (2020), e5961.
4. P. Wałejko, J. Bukowicki, Ł. Dobrzycki, P. Socha, K. Paradowska, „Phenyl glycosides – Solid-state NMR, X-ray diffraction and conformational analysis using genetic algorithm”, Chemical Physics 519 (2019), 126-136
5. P. Wałejko, Ł. Dobrzycki, A. Ratkiewicz, P. Socha, S. Witkowski, M.K. Cyrański, „An X-ray and Natural Bond Orbital (NBO) structural study of α-tocopheryl and 2,2,5,7,8-pentamethylchroman-6-yl succinates”, Journal of Saudi Chemical Society 23(3) (2019), 365-377
6. L. Dobrzycki, P. Socha, A. Ciesielski, R. Boese, M.K. Cyrański, „Formation of Crystalline Hydrates by Nonionic Chaotropes and Kosmotropes: Case of Piperidine”, Crystal Growth and Design 19(2) (2019), 1005-1020
7. D. Basiak, Ł. Dobrzycki, P. Socha, P. Rzepinski, A. Plichta, K. Bujnowski, L. Synoradzki, N. Orlowska, W. Ziemkowska, „Aminophenolates of aluminium, gallium and zinc: Synthesis, characterization and polymerization activity”, Applied Organometallic Chemistry 31 (2017), e3748
8. D. Basiak, T. Wojciechowski, A. Plichta, Z. Ochal, P. Socha, P. Rzepinski, Ł. Dobrzycki,W. Ziemkowska, „Chiral dialkylaluminum 6,7-dihydro-5H-pyrrolo[1,2-a] imidazol-7-olates: Synthesis, characterization and polymerization activity”, Journal of Organometallic Chemistry 848 (2017), 302-308
9. D. Basiak, W. Ziemkowska, P. Socha, Ł. Dobrzycki, Z. Ochal, E. Pindelska, „Coordination modes of 2-mercapto-1,3-benzothiazolate in gallium and indium complexes”, Journal of Coordination Chemistry 70 (2017),1528-1535
10. E. Jaskowska, D. Basiak, Ł. Dobrzycki, P. Rzepinski, P. Socha, C. Cadar, I. Justyniak, T. Wojciechowski, W. Ziemkowska, „Reactions of trialkyl aluminum and trialkyl gallium with the N-tert-butyl amide of succinic acid: Molecular and supramolecular structures of the products”, Journal of Organometallic Chemistry 819 (2016), 228-236,
11. P. Socha, Ł. Dobrzycki, „Crystal structure of 4,4 '-bipiperidinium dichloride 0.12 hydrate, C10H22N2Cl2 center dot 0.12 H2O” Zeitschrift fur Kristallographie-New Crystal Structures 231 (2016), 693-694
12. K. Ostrowska, D. Maciejewska, Ł. Dobrzycki, P. Socha, „Solid state structure by X-ray and C-13 CP/MAS NMR of new 5-[2-(N,N-dimethylamino)ethoxy]-4,7-dimethylcoumarins”, Journal of Molecular Structure 1112 (2016), 25-35
ID: 393
/ Poster - 49 Non-covalent: 15
Bursary application
Poster
MS: Materials for energy conversion and storage, Non-covalent interactions in crystal engineering, Ab initio powder structure analysis for polymorphism and phase transformation studies with pharmaceutical applicationsPosters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics)Keywords: sigma-hole, CSD, DFT
σ-hole interaction properties of divalent sulfur
Albert Singa Lundemba
University of Kinshasa, Kinshasa, Congo, Democratic Republic of the
Bibliography
Bibelayi, D. ; Lundemba, A.S. ; Allen, F.H. ; Galek, P.T.A. ; Pradon, J. ; Reilly, A.M. ; Groom, C.R.; Yav, Z.G. “Hydrogen bonding at C=Se acceptors in selenoureas, selenoamides and selones » acta cryst. B27(2016).
Dikima D. Bibelayi, Pitchouna I. Kilunga, Albert S. Lundemba, Mathieu k. Bokolo, Puis t. Mpiana, Philippe v. Tsalu, Juliette Pradon, Colin c. Groom, Celine w. Kadima, Luc Van Meervelt, Zephyrin g. Yav. « Interaction of iron (iii)-5,10,15,20-tetrakis (4-sulfonatophenyl) porphyrin with chloroquine, quinine and quinidine » crystal structure theory and application, 2017, 6, 25-38.
Lundemba Singa a., Bibelayi Dikima, Juliette Pradon, Anthony m. Reilly, Muswema l. Jeremie, Colin r. Groom, and Zephyrin g. Yav “sigma-hole bonding at r1-se-r2 donors” iucr2017-abstract (2017).
Kilembe, J.T.,Lundemba, A.S., Bibelayi, D.D., Ndefi, G.M.,Pradon, J. and Yav, Z.G. (2019) “Docking of Human Heat Shock Protein 90 with Selenoderivatives of Geldanamycin”. Crystal Structure Theory and Applications, 8, 13-27.
ID: 1514
/ Poster - 49 Non-covalent: 16
Chemical crystallography, crystal structures
Poster
MS: Crystallographic approaches for designing new framework materials (including post-synthetic modification), Non-covalent interactions in crystal engineeringKeywords: Hypodiphosphate, organic-inorganic hybrid, crystal structure, anionic network, thiazolium salts
Architecture of hydrogen-bonded anionic substructure vs cation type in thiazolium hypodiphosphates
Daria Barbara Budzikur, Katarzyna Anna Ślepokura
University of Wrocław, Wrocław, Poland
ID: 1474
/ Poster - 49 Non-covalent: 17
Chemical crystallography, crystal structures
Poster
MS: Non-covalent interactions in crystal engineeringKeywords: Bisphenol A, Functional molecule, X-ray structure analysis, Solvates
The crystal structure of four solvates of a bisphenol derivative.
Mizuki Fujino1, Saori Gontani1, Takeshi Nakamura2, Shinya Matsumoto1
1Yokohama National Univerity, Yokohama, Japan; 2Mitsubishi Chemical Corporation Osaka R&D Center, Osaka, Japan
ID: 1644
/ Poster - 49 Non-covalent: 18
Chemical crystallography, crystal structures
Poster
MS: Non-covalent interactions in crystal engineeringPosters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics)Keywords: Pi-pi stacking, non-covalent interactions, crystal engineering
Controlling π-Stacking Interactions in a Series of Novel Heteroacene Derivatives
Lana Klara Hiscock, Maly Kenneth, Dawe Louise
Wilfrid Laurier University, Waterloo, Canada
ID: 1884
/ Poster - 49 Non-covalent: 19
Poster sessions
Poster
Posters only: Non-covalent interactions in crystal engineeringKeywords: DFMO, supramolecular synthon, antiviral and anticancer pan-drug
The first supramolecular consideration on crystal of DFMO – promising antiviral and anticancer pan-drug
Joanna Bojarska
Technical University of Lodz, Poland, Lodz, Poland
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