Publicaties
Synthesis, crystal structure and Hirshfeld surface analysis of 2-({5-[(naphthalen-1-yl)meth-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfan-yl)-1-(4-nitro-phen-yl)ethanone. KU Leuven
The title compound, C27H20N4O3S, crystallizes in the monoclinic system, space group P21/n, with Z = 4. The global shape of the mol-ecule is determined by the orientation of the substituents on the central 4H-1,2,4-triazole ring. The nitro-phenyl ring, phenyl ring, and naphthalene ring system are oriented at dihedral angles of 82.95 (17), 77.14 (18) and 89.46 (15)°, respectively, with respect to the triazole ring. The crystal packing features ...
An Extrusion Strategy for On-Demand SF5Cl Gas Generation from a Commercial Disulfide KU Leuven
Herein we report a novel methodology for the ex situ generation of SF5Cl by employing 4,4'-dipyridyl disulfide as a safe commercial reagent, obviating the need for lecture bottles. The method is applicable to certain SF5Cl-involving transformations by using a two-chamber reactor. Moreover, easily applying SF5Cl in different solvents is rendered feasible, while avoiding the use of glovebox techniques. This report also suggests 1H-19F HOESY as a ...
Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy frameworks and in-Silico drug-targeting PFKFB3 kinase of novel triazolequinoxalin derivative (TZQ) as a therapeutic Strategy against cancer KU Leuven
Overall, drug design is a dynamic and evolving field, with researchers constantly working to improve their understanding of molecular interactions, develop new computational methods, and explore innovative techniques for creating effective and safe medications. The process can involve steps such as the identification of targets, the discovery of lead compounds, lead optimization, preliminary testing, human trials, regulatory approval and finally ...
Unusual reaction of (E)-2-[(benzo[d]thiazol-2-ylimino)methyl]-5-(diethylamino)phenol with triphenylborane: crystal structures and optical properties KU Leuven
The mol-ecular and crystal structure of (E)-2-[(benzo[d]thia-zol-2-yl-imino)-meth-yl]-5-(di-ethyl-amino)-phenol (C18H19N3O2S, Et2N-Bz) and its unexpected reaction product with tri-phenyl-borane, 2,2-diphenyl-1,3-dioxa-2-borata-1,2-di-hydro-naphthalene [systematic name: N,N-diethyl-2,2-diphenyl-2H-1,3λ3,2λ4-ben-zodioxaborinin-7-amine, C23H24BNO2, (I)] are described. For Et2N-Bz, the hydroxyl group is involved in an intra-molecular hydrogen bond ...
Solvent-Free Hydrohalogenation and Deuteriohalogenation by Ex Situ Generation of HX and DX Gas KU Leuven
Charge transport in highly acidic glass-forming protic ionic liquids tailored by zwitterionic precursors KU Leuven
Highly acidic protic ionic liquids (PILs) are promising materials for potential electrochemical applications due to their high proton conductivity and excellent thermal stability. Still, little is known about the correlation between charge transport and structural dynamics as well as the proton transport mechanism despite the large body of literature on this topic. Here, we have examined the charge transport and structural dynamics by employing ...