Results 11 to 20 of about 106,351 (226)

Supramolecular Synthons: Will Giant Rigid Superspheres Do? [PDF]

Cryst Growth Des, 2016
For the first time, the concept of supramolecular synthons was applied to giant rigid superspheres based on pentaphosphaferrocene [CpRFe(η5-P5)] (R = Me, Et) and Cu(I) halides, which reach 2.1–3.0 nm in diameter. Two supramolecular synthons, σ–π and π–π,
Peresypkina E, Virovets A, Scheer M.
europepmc   +5 more sources

Supramolecular Frameworks Based on Rhenium Clusters Using the Synthons Approach [PDF]

Molecules, 2021
The reaction of the K4[{Re6Si8}(OH)a6]·8H2O rhenium cluster salt with pyrazine (Pz) in aqueous solutions of alkaline or alkaline earth salts at 4 °C or at room temperature leads to apical ligand exchange and to the formation of five new compounds: [trans-
Nathalie Audebrand, Antoine Demont, Racha El Osta, Yuri V. Mironov, Nikolay G. Naumov, Stéphane Cordier   +5 more
doaj   +5 more sources

The origin of synthons and supramolecular motifs: beyond atoms and functional groups [PDF]

IUCrJ
A four-membered R22(4) supramolecular motif formed by S...S and S...I chalcogen-bonding interactions in the crystal structure of 4-iodo-1,3-dithiol-2-one (C3HIOS2, IDT) is analysed and compared with a similar R22(4) motif (stabilized by Se...Se and Se ...
Rahul Shukla, Emmanuel Aubert, Mariya Brezgunova, Sébastien Lebègue, Marc Fourmigué, Enrique Espinosa   +5 more
doaj   +2 more sources

A Supramolecular Approach to Structure-Based Design with A Focus on Synthons Hierarchy in Ornithine-Derived Ligands: Review, Synthesis, Experimental and in Silico Studies

Molecules, 2020
The success of innovative drugs depends on an interdisciplinary and holistic approach to their design and development. The supramolecular architecture of living systems is controlled by non-covalent interactions to a very large extent.
Joanna Bojarska, Milan Remko, Martin Breza, Izabela D. Madura, Krzysztof Kaczmarek, Janusz Zabrocki, Wojciech M. Wolf   +6 more
doaj   +2 more sources

8-Aminoquinoline-Based Promising Zn Complexes with Dicyanamide and Tricyanomethane Anions: Supramolecular <i>R</i> ₄ ⁴(8)/<i>R</i> ₂ ²(16) Synthons, DFT Rationalization, and Biological Insights. [PDF]

ACS Omega
Considering the new crystal engineering integrity utilizing the DFT and the issues surrounding antimicrobial resistance in complexes, there is a pressing need to tackle antifungal photodynamic therapy about global health challenges.
Hazra S, Majumdar D, Philip JE, Gassoumi B, Frontera A, Roy S, Ghalla H, Dalai S.   +7 more
europepmc   +2 more sources

Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals [PDF]

IUCrJ, 2014
Aniline–phenol recognition is studied in the crystal engineering context in several 1:1 cocrystals that contain a closed cyclic hydrogen-bonded [...O—H...N—H...]2 tetramer supramolecular synthon (II). Twelve cocrystals of 3,4,5- and 2,3,4-trichlorophenol
Arijit Mukherjee, Karuna Dixit, Siddhartha P. Sarma, Gautam R. Desiraju   +3 more
doaj   +2 more sources

Crystal structure of 1-(4-methylphenyl)-3-(propan-2-ylideneamino)thiourea [PDF]

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title thiosemicarbazone, C11H15N3S, the p-tolyl-N—H and imino-N—H groups are anti and syn, respectively, to the central thione-S atom. This allows for the formation of an intramolecular p-tolyl-N—H...N(imino) hydrogen bond. The molecule is twisted
Mukesh M. Jotani, Chien Ing Yeo, Edward R. T. Tiekink   +2 more
doaj   +3 more sources

Fluxional Halogen Bonds Versus Interlayer Stacking - Theory Meets Experiment. [PDF]

Chemistry
Joint high‐resolution X‐ray diffraction and density functional theory investigations reveal the existence of fluxional halogen bonds in the cocrystal of 1,4‐diiodobenzene and 1,4‐dinitrobenzene. At 130 K this solid undergoes a reversible crystal‐to‐crystal phase transition from the high‐temperature 1α phase with a symmetric bifurcated halogen bond to a
Gao CY, Schmidt A, Wang R, Strohmann C, Englert U, Li SD.   +5 more
europepmc   +2 more sources

Prediction of supramolecular synthons and crystal packings of supramolecular HMX/solvent assemblies

RSC Advances, 2017
We report the most stable packings of five HMX/solvent supramolecular assemblies. A series of 1 : 1 supramolecular synthons of both α-form and β-form HMX conformers with solvent molecules were investigated.
Zhichao Liu, Yu Liu, Jinshan Li, Weihua Zhu   +3 more
semanticscholar   +3 more sources

Four-Center Nodes: Supramolecular Synthons Based on Cyclic Halogen Bonding.

Chemistry – A European Journal, 2019
The isocyanide trans-[PdBr2(CNC6H4-4-X')2] (X' = Br, I) and nitrile trans-[PtX2(NCC6H4-4-X')2] (X/X' = Cl/Cl, Cl/Br, Br/Cl, Br/Br) complexes exhibit similar structural motif in the solid state, which is determined by hitherto unreported four-center nodes
M. Kryukova, D. Ivanov, M. Kinzhalov, A. Novikov, A. Smirnov, N. Bokach, Vadim Yu. Kukushkin   +6 more
semanticscholar   +3 more sources