Crystal polymorphism and spectroscopical properties of sulfonamides in solid state by means of First Principles calculations

CI Sainz-Díaz, AP de la Luz… - Journal of Computer …, 2022 - Springer
Sulfonamides are an important class of therapeutic agents. The increase in the number of
new sulfonamide derivatives makes it necessary to study more rationally the chemical …

Polymorphism, intermolecular interactions, and spectroscopic properties in crystal structures of sulfonamides

CI Sainz-Díaz, M Francisco-Márquez… - Journal of …, 2018 - Elsevier
The antibiotics family of sulfonamides has been used worldwide intensively in human
therapeutics and farm livestock during decades. Intermolecular interactions of these …

Experimental and computational insights into polymorphism in an antimicrobial sulfadrug: discovery of a novel monoclinic form of sulfamerazine

A Direm, C Parlak, B El Bali, MSM Abdelbaky… - Journal of the Iranian …, 2024 - Springer
Abstract Sulfamerazine (4-Amino-N-(4-methylpyrimidin-2-yl) benzenesulfonamide) is a
polymorphic molecule crystallizing in three forms: Form I: Pn 21 a polymorph (with three …

Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety

M Kowalik, J Brzeski, M Gawrońska, K Kazimierczuk… - …, 2021 - pubs.rsc.org
Four sulfonamide derivatives with a methoxyphenyl moiety, namely N-{4-[(2-methoxyphenyl)
sulfamoyl] phenyl} acetamide (1a), N-{4-[(3-methoxyphenyl) sulfamoyl] phenyl} acetamide …

[HTML][HTML] Tautomerism and IR spectroscopy of arylsulfonamides by quantum mechanical calculations

FM Misaela, P de la Luz Alexander, SC Catalina… - Journal of Molecular …, 2022 - Elsevier
The molecular structures of sulphonamides are interesting for evaluating their mobility in
soils and preparing composite complexes for optimizing the use of these drugs. In this work …

Facile synthesis, single crystal analysis, and computational studies of sulfanilamide derivatives

MN Tahir, M Khalid, A Islam, SMA Mashhadi… - Journal of Molecular …, 2017 - Elsevier
Antibacterial resistance is a worldwide problem. Sulfanilamide is widely used antibacterial.
For the first time, we report here a simple method for the derivative synthesis of the title …

[HTML][HTML] A potent anesthetic drug salt: experimental and computational studies

NK Manjunatha, NN Alzubaidy, U Likhitha… - Journal of Molecular …, 2022 - Elsevier
The title compound Ethyl 4-aminobenzoate–3, 5-dinitrosalicylate salt [ES] has been
synthesized, crystallized and characterized using FTIR, 1 H NMR, 13 C NMR and confirmed …

Quantitative analysis of weak interactions by Lattice energy calculation, Hirshfeld surface and DFT studies of sulfamonomethoxine

KD Patel, UH Patel - Journal of Molecular Structure, 2017 - Elsevier
Abstract Sulfamonomethoxine, 4-Amino-N-(6-methoxy-4-pyrimidinyl) benzenesulfonamide
(C 11 H 12 N 4 O 3 S), is investigated by single crystal X-ray diffraction technique. Pair of N …

Quantum chemical, vibrational, microhardness, thermal and antibacterial studies on polymorphic drug crystal: Sulfanilamide (β-form)

JJ Belciya, R Anitha, MM Roshan, V Siva… - Journal of Molecular …, 2024 - Elsevier
The widely known pharmaceutical drug compound, Sulfanilamide, crystallized in the β-form
of its polymorphic phases by slow evaporation of the parent solution at room temperature …

Theoretical studies on sulfanilamide and derivatives with antibacterial activity: conformational and electronic analysis

EG Vega-Hissi, MF Andrada, GN Zamarbide… - Journal of molecular …, 2011 - Springer
Quantum chemical methods have been used to study the conformational and electronic
properties of sulfanilamide and derivatives with antibacterial activity. Calculations at …