0000000001314341

AUTHOR

Jan T. Gozdalik

showing 3 related works from this author

(Trifluoromethoxy)Phenylboronic Acids: Structures, Properties, and Antibacterial Activity.

2021

Three isomers of (trifluoromethoxy)phenylboronic acids were studied in the context of their physicochemical, structural, antimicrobial and spectroscopic properties. They were characterized by 1H, 13C, 11B and 19F NMR spectroscopy. The acidity of all the isomers was evaluated by both spectrophotometric and potentiometric titrations. The introduction of the -OCF3 group influences the acidity, depending, however, on the position of a substituent, with the ortho isomer being the least acidic. Molecular and crystal structures of ortho and para isomers were determined by the single crystal XRD method. Hydrogen bonded dimers are the basic structural motives of the investigated molecules in the sol…

Models MolecularMagnetic Resonance SpectroscopyPotentiometric titrationSubstituentMolecular ConformationPharmaceutical ScienceContext (language use)Crystal structureMicrobial Sensitivity TestsDFTMedicinal chemistryArticleOCF<sub>3</sub>Analytical Chemistrylcsh:QD241-441chemistry.chemical_compoundlcsh:Organic chemistryDrug StabilityIsomerismtrifluoromethoxyDrug DiscoveryMoleculePhysical and Theoretical ChemistryMolecular StructureHydrogen bondOrganic ChemistryBoronic AcidsNMRAnti-Bacterial AgentsantibacterialchemistryChemistry (miscellaneous)Intramolecular forceX-RayMolecular MedicineisomersOCF3Derivative (chemistry)Molecules (Basel, Switzerland)
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Synthesis, Properties and Antimicrobial Activity of 5-Trifluoromethyl-2-formylphenylboronic Acid

2020

2-Formylphenylboronic acids display many interesting features, not only from synthetic but also from an application as well as structural points of view. 5-Trifluoromethyl-2-formyl phenylboronic acid has been synthesized and characterized in terms of its structure and properties. The presence of an electron-withdrawing substituent results in a considerable rise in the acidity in comparison with its analogues. In some solutions, the title compound isomerizes with formation of the corresponding 3-hydroxybenzoxaborole. Taking into account the probable mechanism of antifungal action of benzoxaboroles, which blocks the cytoplasmic leucyl-tRNA synthetase (LeuRS) of the microorganism, docking stud…

Antifungal AgentstrifluoromethylStereochemistryphenylboronicBacillus cereusAntifungal drugbenzoxaborolePharmaceutical ScienceMicrobial Sensitivity Tests010402 general chemistry01 natural sciencesequilibriumArticleAnalytical Chemistrycrystallcsh:QD241-441chemistry.chemical_compoundTavaborolelcsh:Organic chemistryCandida albicansDrug DiscoveryEscherichia colimedicineformylPhysical and Theoretical ChemistryPhenylboronic acidCandida albicansacidityTrifluoromethylKerydinbiology010405 organic chemistryChemistryOrganic ChemistryActive sitebiology.organism_classificationBoronic AcidsAnti-Bacterial Agents0104 chemical sciencesMechanism of actionChemistry (miscellaneous)Docking (molecular)Benzaldehydesdockingbiology.proteinMolecular MedicineantimicrobialLeucine-tRNA Ligasemedicine.symptomMolecules
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CCDC 1959978: Experimental Crystal Structure Determination

2020

Related Article: Agnieszka Adamczyk-Woźniak, Jan T. Gozdalik, Dorota Wieczorek, Izabela D. Madura, Ewa Kaczorowska, Ewa Brzezińska, Andrzej Sporzyński, Jacek Lipok|2020|Molecules|25|799|doi:10.3390/molecules25040799

Space GroupCrystallographyCrystal SystemCrystal Structure[2-formyl-5-(trifluoromethyl)phenyl]boronic acidCell ParametersExperimental 3D Coordinates
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