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Poster - 12 Supramolecular: Theory and practice of supramolecular synthons in crystal engineering
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Presentations | |
ID: 1939
/ Poster - 12 Supramolecular: 1
Poster session abstracts Poster Poster session abstracts ID: 1597
/ Poster - 12 Supramolecular: 2
Chemical crystallography, crystal structures Poster MS: Theory and practice of supramolecular synthons in crystal engineering, Polymorphism and structural transformation of organic crystals from synthesis to characterization, New trends in pharmaceutical materials Keywords: Cocrystal polymorphism; Niflumic acid; Mechanochemistry; Crystal structure Conformational polymorphism of a pharmaceutical cocrystal involving niflumic acid and caffeine 1Laboratorio de Estudios Cristalográficos, IACT, CSIC, Armilla (Granada), Spain; 2Hospital Universitario Virgen de las Nieves, Granada, Spain; 3Department of Inorganic Chemistry, University of Granada, Granada, Spain External Resource: https://www.xray.cz/iucrp/P_215
ID: 1624
/ Poster - 12 Supramolecular: 3
Chemical crystallography, crystal structures Oral/poster MS: Crystal structure prediction, Theory and practice of supramolecular synthons in crystal engineering, Non-covalent interactions in crystal engineering Keywords: Halogen bond, sulfonyl Schiff bases, X-ray diffraction, Hirshfeld surface, DFT studies Crystal structure studies, computational analysis, and hydrogen bonding attributes of halogen bonded sulfonyl Schiff bases 1Department of Physics, School of Sciences-I, JAIN ( deemed to be University), Bangalore 560011, India.; 2Department of Studies in Physics, Manasagangotri, University of Mysore, Mysuru 570 006, India.; 3Department of Spice and Flavor Science, CSIR-CFTRI, Mysuru 570020, India. ID: 1599
/ Poster - 12 Supramolecular: 4
Chemical crystallography, crystal structures Poster MS: Theory and practice of supramolecular synthons in crystal engineering, Non-covalent interactions in crystal engineering Keywords: Cocrystal, ethenzamide, polyphenols, mechanochemistry Cocrystals of ethenzamide with polyphenols: Solid state characterization and preliminary evaluation of biopharmaceutical parameters. 1Laboratorio de Estudios Cristalográficos, IACT, CSIC, Armilla (Granada), Spain; 2Hospital Universitario Virgen de las Nieves, Granada, Spain; 3Department of Inorganic Chemistry, University of Granada, Granada, Spain External Resource: https://www.xray.cz/iucrp/P_216
ID: 313
/ Poster - 12 Supramolecular: 5
Bursary application Oral/poster MS: Non-covalent interactions in crystal engineering, Application of electron crystallography to functional materials Posters only: Crystallography in industry and applied sciences, Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: Dio-hosts, separation, lutidine isomers. Separation of Lutidine Isomers by Selective Enclathration 1University of Cape Town, Cape Town, South Africa; 2Institut für Organische Chemie, TU Bergakademie Freiberg, Leipziger Straße 29, D-09596 Freiberg/Sachs, Germany Bibliography
1.Separation and Resolution of Methylcyclohexanones by Enclathration with Deoxycholic Acid Jacky S. Bouanga Boudiombo, Hong Su, Neil Ravenscroft, Susan A. Bourne and Luigi R. Nassimbeni Crystal Growth & Design, 2019, 19, 7, 3962-3968 2.Preferential enclathration of lutidine isomers by diol-hosts Jacky S. Bouanga Boudiombo, Hong Su, Neil Ravenscroft, Susan A. Bourne, Edwin Weber, and Luigi R. Nassimbeni Journal of Molecular Structure, 2019, 1181, 636-644. 3.Salts of mefenamic acid with amines: structure, thermal stability, desolvation and solubility Bouanga Boudiombo JS, Jacobs A. Journal of pharmaceutical sciences: 2018,107, 12, 3014-3021. 4.Separation of lutidine isomers by selective enclathration. Jacky S. Bouanga Boudiombo, Hong Su, Susan A. Bourne, Edwin Weber and Luigi R. Nassimbeni. Crystal growth and Design, 2018, 18, 4, 2620-2627 5. Separation of trimethoxybenzene isomers by bile acids. Jacky S. Bouanga Boudiombo, Hong Su, Susan A. Bourne and Luigi R. Nassimbeni Crystal growth and Design, 2018, 18, 424−430 6. Solvates of selected fenamic acids with substituted pyridines structure, thermal stability and desolvation. Bouanga Boudiombo JS, Jacobs A. Acta Crystallographica Section B: structural science, crystal engineering and materials, 2016,B72, 836-845 External Resource: https://www.xray.cz/iucrp/P_214
ID: 1684
/ Poster - 12 Supramolecular: 6
Chemical crystallography, crystal structures Poster MS: Theory and practice of supramolecular synthons in crystal engineering, Non-covalent interactions in crystal engineering Posters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: Osme Bond, Sigma-hole, noncovalent interactions Osme bond: anisotropic distribution of electron density in action 1Politecnico di Milano, Milano, Italy; 2Universitat de les Illes Balears External Resource: https://www.xray.cz/iucrp/P_213
ID: 1714
/ Poster - 12 Supramolecular: 7
Chemical crystallography, crystal structures Oral/poster MS: Theory and practice of supramolecular synthons in crystal engineering, Non-covalent interactions in crystal engineering Keywords: aromatic molecules, infinite stacking, halogen...halogen contacts, packing energy, Cambridge Structural Database Organic homomolecular crystals with the shortest period of about 4 Å: the role of halogen atoms according to the CSD statistics Chemistry Department of Moscow M. V. Lomonosov State University, Moscow, Russia External Resource: https://www.xray.cz/iucrp/P_222
ID: 1691
/ Poster - 12 Supramolecular: 8
Chemical crystallography, crystal structures Poster MS: Theory and practice of supramolecular synthons in crystal engineering Posters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: Pillar[n]pyridiniums, p-sulfonatocalix[4]arene, supramolecular chemistry, host-guest, complexes. Electrostatic self-assembly of organic crystals from charged macrocycles Institute of Physical Chemistry Polish Academy of Sciences, Warsaw, Poland External Resource: https://www.xray.cz/iucrp/P_218
ID: 1042
/ Poster - 12 Supramolecular: 9
Chemical crystallography, crystal structures Oral/poster MS: Theory and practice of supramolecular synthons in crystal engineering, Stimuli-responsive crystalline compounds, Non-covalent interactions in crystal engineering Keywords: Spin-crossover, Crystal engineering, Transition, Responsive, Design Crystal engineering concepts in the design and synthesis of a series of novel, structurally related spin-crossover materials, characterized by variable temperature single crystal X-ray diffraction. School of Physical Sciences, Ingram Building, University of Kent, Canterbury, CT2 7NH External Resource: https://www.xray.cz/iucrp/P_219
ID: 882
/ Poster - 12 Supramolecular: 10
Bursary application Oral/poster MS: Crystal chemistry with emerging technology, Crystallographic approaches for designing new framework materials (including post-synthetic modification), Crystallization mechanisms of small molecule systems Keywords: crystal structures; X-ray diffraction; Raman; Infrared; DFT; barium dihydrogenomonophosphate Synthesis, Crystal Structure, Vibrational Study and DFT Computation of Barium Dihydrogenomonophosphate Ba(H2PO4)2 1Laboratory of chemistry-physics of materials LCPM, Faculty of Sciences Ben M’Sik, B.P7955, Hassan II University of Casablanca, Morocco;; 2Institute of General and Ecological Chemistry, Łód´z University of Technology, 116 Zeromskiego St., 90-924 Lodz, Poland; 3Department of Chemistry, University of Liverpool, CrownStreet, Liverpool L697ZD, UK;; 4Laboratory of chemistry-physics of materials LCPM, Faculty of Sciences Ben M’Sik, B.P7955, Hassan II University of Casablanca, Morocco;; 5Regional Center of the education and training trades Anfa Bd BirAnzarane Casablanca. Morocco;; 6Laboratory of chemistry-physics of materials LCPM, Faculty of Sciences Ben M’Sik, B.P7955, Hassan II University of Casablanca, Morocco; Bibliography
Oubouaza, R.; Marouani, H.; Zerraf, S.; Belhabra, M.; Ouasri, A.; Tridane, M.; Belaaouad, S. Chemical preparations, crystal data for monophosphates and condensed phosphates associated to strontium and IR studies of their anions. IJETER 2020, 8, 6587–6598 23.Oubouaza,R.;Benson,M.;Wojciechowski,J.;Chtita,S.;Tridane, M.; Belaaouad, S. 1.Synthesis, Crystal Structure, Vibrational Study and DFT Computation of Barium Dihydrogenomonophosphate Ba(H2PO4).BRIAC 2021 (In progress) External Resource: https://www.xray.cz/iucrp/P_221
ID: 669
/ Poster - 12 Supramolecular: 11
Bursary application Oral/poster MS: Theory and practice of supramolecular synthons in crystal engineering Keywords: σ-Hole, Non-covalent interaction, Tetrel bond Tetrel bond: dipyridyl methylene as a donor site Politecnico di Milano, Torino, Italy Bibliography
[1] Daolio, A. Scilabra, P., Terraneo, G. & Resnati, G., C(sp3) atoms as tetrel bond donors: A crystallographic survey, Coord. Chem. Rev. (2020) 413: 213-265 [2] Daolio A., Wieduwilt E., Genoni A., Terraneo G., Resnati G., Manuscript in preparation [3] Vijith K., Scilabra P., Politzer P., Terraneo G., Daolio A., Fernandez- Palacio F., Murray J. S., Resnati G., Tetrel and Pnictogen Bonds Complement Hydrogen and Halogen Bonds in Framing the Interactional Landscapeof Barbituric Acids, Cryst. Growth Des.2021, 21, 1, 642–652 External Resource: https://www.xray.cz/iucrp/P_220
ID: 418
/ Poster - 12 Supramolecular: 12
Bursary application Oral/poster MS: Theory and practice of supramolecular synthons in crystal engineering Keywords: σ-hole interactions, tetrel bond, supramolecular synthon The N-methylammonium moiety: A tetrel bond donor site 1Politecnico di Milano, Milano, Italy; 2Université de Lorraine, Vandoeuvre-lès-Nancy, France Bibliography
Vijith Kumar, Patrick Scilabra, Peter Politzer, Giancarlo Terraneo, Andrea Daolio, Francisco Fernandez-Palacio, Jane S Murray, Giuseppe Resnati Tetrel and Pnictogen Bonds Complement Hydrogen and Halogen Bonds in Framing the Interactional Landscape of Barbituric Acids. Cryst. Growth Des. 2020, 12, 642-652. Andrea Daolio, Patrick Scilabra, Maria Enrica Di Pietro, Chiara Resnati, Kari Rissanen, Giuseppe Resnati Binding motif of ebselen in solution: chalcogen and hydrogen bonds team up. New J. Chem. 2020, 44, 20697-20703 Giorgio Volpi, Emanuele Priola, Claudio Garino, Andrea Daolio, Roberto Rabezzana, Paola Benzi, Alessia Giordana, Eliano Diana, Roberto Gobetto Blue fluorescent zinc (II) complexes based on tunable imidazo [1, 5-a] pyridines. Inorg. Chem. Acta. 2020, 509, 119662. Jing‐Xiang Lin, Andrea Daolio, Patrick Scilabra, Giancarlo Terraneo, Hongfan Li, Giuseppe Resnati, Rong Cao The Relevance of Size Matching in Self‐assembly: Impact on Regio‐and Chemoselective Cocrystallizations. Chem. –Eur. J. 2020 26, 11701-11704. Andrea Daolio, Patrick Scilabra, Giancarlo Terraneo, Giuseppe Resnati. C(sp3) atoms as tetrel bond donors: A crystallographic survey. Coordination Chemistry Reviews 2020, 413, 213265. Patrick Scilabra, Giancarlo Terraneo, Andrea Daolio, Alberto Baggioli, Antonino Famulari, Cesar Leroy, David L Bryce, Giuseppe Resnati. 4, 4’-Dipyridyl dioxide∙ SbF3 Co-crystal: Pnictogen Bond Prevails over Halogen and Hydrogen Bonds in Driving Self-assembly. Crystal Growth and Design 2019, 20, 2, 916-922. External Resource: https://www.xray.cz/iucrp/P_212
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