A5017040723- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Crystallography and molecular interactions
- Crystal structures of chemical compounds
- Supramolecular Chemistry and Complexes
- Chemical Thermodynamics and Molecular Structure
- Chemical Reaction Mechanisms
- Molecular Spectroscopy and Structure
- Chemical Reactions and Mechanisms
- Synthesis of Tetrazole Derivatives
- Advanced Chemical Physics Studies
- Electrochemical Analysis and Applications
- Chemical and Physical Properties in Aqueous Solutions
- Fluorine in Organic Chemistry
- DNA and Nucleic Acid Chemistry
- Synthesis and Biological Evaluation
- Quinazolinone synthesis and applications
- Metal-Organic Frameworks: Synthesis and Applications
- Synthesis of Indole Derivatives
- Chemistry and Chemical Engineering
- Chemical Reactions and Isotopes
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Chemical Synthesis and Analysis
- Thermal and Kinetic Analysis
- Inorganic and Organometallic Chemistry
Universidade Federal de Santa Maria
2017-2023
Normalized parameters are presented to assist the interpretation of crystal mechanisms a series triazene<italic>N</italic>1-oxides. The role halogen⋯π interactions is discussed.
A series of seven N-phenylamides [R-C(O)NHPh, in which R: CH3, C(CH3)3, Ph, CF3, CCl3, CBr3, and H] were used as models this study. Molecular packing intermolecular interactions evaluated by theoretical calculations, solution NMR, quantum theory atoms molecules analyses. Crystallization mechanisms proposed based on the energetic topological parameters using supramolecular cluster demarcation. Concentration-dependent 1H NMR experiments corroborated between molecules. For all compounds (except...
An efficient synthesis methodology for a series of tetrazolo[1,5-a]pyrimidines substituted at the 5- and 7-positions from cyclocondensation reaction [CCC + NCN] was developed. The NCN corresponds to 5-aminotetrazole CCC β-enaminone. Two distinct products were observed in accordance with β-enaminone substituent. When solution, compounds can be divided into two groups: (a) precursor R = CF3 or CCl3, which leads high regioselectivity 7-position heterocyclic ring; (b) aryl methyl, mixture...
Rotaxanes are designated as molecular machines due their different movements. Systematic studies regarding the conformations adopted by these systems and factors that lead to distribution of conformations, in both solution solid state, have not been widely explored, especially for rotaxanes with nonsymmetric stoppers. Therefore, this study we investigated three novel [2]rotaxanes containing threads derived from succinamides [R 1 R 2 NC(O)‐CH CH ‐C(O)NR , /R = Bu/Bn, Bu/2‐furylmethyl,...
The conformation adopted by COOEt group in solid state were influenced supramolecular environment and intramolecular interaction for 1,3- 1,5-regioisomers, respectively.
Crystallization mechanisms were proposed to investigate hydrogen bond and aromatic donor–acceptor interactions in a series of phenyl–perfluorophenyl amides. The modulation NH⋯OC bonds aryl complementarity drove new cocrystal growth.
Insights into the occurrence of packing and conformational polymorphs anhydrous/hydrate forms 1,2-bis(aminocarbonyl(1-tert-butyl-1H-pyrazol-[3]5-yl))ethanes with substituents R = Me (a), F-4-Ph (b), Cl-4-Ph (c), Br-4-Ph (d) in positions 5 (1) 3 (2) pyrazole rings are presented. In this series, two molecular were observed, linear folded. Compound 1a revealed an illuminating rare example a highly flexible molecule polymorphism. The stacking absence NH···O═C interactions promoted polymorph...
Variations in solvents, flexibility, and the presence/absence of amide–amide interactions can modulate competition between amide-containing isoxazole polymorphs.
The Cover Feature shows the threads and rotaxanes, actors in play “Conformer Distribution”. plot will present story of how conformers distribution changes when are involved by macrocycle rotaxane formation. theater acts different approaches solution, solid state crystal. After various acts, audience be lead to climax final resolution. Rectory UFSM is kindly acknowledged for picture image. More information can found Full Paper M. A. P. Martins et al.