(<i>E</i>)-1-[1-(6-Bromo-2-oxo-2<i>H</i>-chromen-3-yl)ethylidene]thiosemicarbazide

Arshad, Afsheen; Osman, Hasnah; Chan, Kit‐Lam; Goh, Jia Hao; Fun, Hoong‐Kun

doi:10.1107/s1600536810019240

Cited by 4 publications

(1 citation statement)

References 16 publications

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“…Coumarin compounds have more than 40 drugs, which are widely used in medicine as seen in (Scheme ) that containing some of the studied coumarinyl thiosemicarbazone derivatives. So, the crystal structure of new derivatives like (E)‐1‐[1‐(6‐Bromo‐2‐oxo‐2H‐chromen‐3‐yl)ethylidene]thiosemicarbazide was studied . Progresses of various medicinal applications of coumarins metal complexes were summarized by several reviews as thiosemicarbazone derivative of 3‐acetyl coumarin in reducing the toxicity of Aβ peptide in SH‐SY5Y cells by the inhibition of the higher aggregate formation .…”

Section: Introductionmentioning

confidence: 91%

Antibacterial, DFT and molecular docking studies of Rh(III) complexes of Coumarinyl‐Thiosemicarbazone nuclei based ligands

Hassan

2017

Applied Organom Chemis

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Coumarinyl thiosemicarbazone derivatives (1E)‐1‐(1‐(2‐oxo‐2H‐chromen‐3‐yl)ethylidene)thiosemicarbazide (OCET), (1E)‐1‐(1‐(6‐bromo‐2‐ oxo‐2H‐chromen‐3‐yl)ethylidene)thiosemicarbazide (BOCET) and 1‐(1‐(3‐oxo‐3H‐benzo[f]chromen‐2‐yl)ethylidene)thiosemicarbazide (NOCET) and their Rh(III) complexes were synthesized, the characterization was carried out by elemental analysis, IR, UV–Visible, mass, magnetic measurement and molar conductance techniques. Data interpretation of the Rh(III) complexes indicates that the ligands of coumarinyl thiosemicarbazone derivatives were formed in stoichiometric ratios as 1:2 (metal: ligand). The studied ligands act as a bidentate ligand by using both azomethine nitrogen and thiol sulphur as monoanion center of donation. The theoretical conformational structure analyses were performed using density functional theory for ligands and complexes at B3LYP functional with 6‐31G(++)d,p basis set for ligands and LANL2DZ basis set for complexes. The charge distribution within the ligands and its Rh(III) complexes was calculated using Mulliken population analysis of (MPA) and natural population analysis (NPA). The antibacterial activity of the prepared compounds was tested against some types of Gram positive and negative bacteria. Molecular docking investigation proved that, the ligands and complexes had interesting interactions with active site amino acids of ribosyltransferase (code: 3GEY).

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Section: Introductionmentioning

confidence: 91%

Antibacterial, DFT and molecular docking studies of Rh(III) complexes of Coumarinyl‐Thiosemicarbazone nuclei based ligands

Hassan

2017

Applied Organom Chemis

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Synthesis and antimicrobial properties of some new thiazolyl coumarin derivatives

Arshad

Osman

Bagley

et al. 2011

European Journal of Medicinal Chemistry

146

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3-{2-[2-(3-Hydroxybenzylidene)hydrazin-1-yl]-1,3-thiazol-4-yl}-2H-chromen-2-one hemihydrate

et al. 2010

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Key indicators: single-crystal X-ray study; T = 100 K; mean (C-C) = 0.003 Å; R factor = 0.048; wR factor = 0.128; data-to-parameter ratio = 15.8.In the title compound, C 19 H 13 N 3 O 3 SÁ0.5H 2 O, both organic molecules (A and B) exist in E configurations with respect to the acyclic C N bond and have similar overall conformations. In molecule A, the essentially planar thiazole ring [maximum deviation = 0.010 (2) Å ] is inclined at interplanar angles of 11.44 (10) and 32.50 (12) , with the 2H-chromene ring system and the benzene ring, respectively. The equivalent values for molecule B are 0.002 (2) Å , 7.71 (9) and 12.51 (12) . In the crystal structure, neighbouring molecules are interconnected into infinite layers lying parallel to (010) by O-HÁ Á ÁO, O-HÁ Á ÁN, N-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds. Further stabilization of the crystal structure is provided by weak intermolecular C-HÁ Á Á and -[centroid-centroid distance = 3.6380 (19) Å ] interactions. Related literature

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(E)-1-[1-(6-Bromo-2-oxo-2H-chromen-3-yl)ethylidene]thiosemicarbazide

Cited by 4 publications

References 16 publications

Antibacterial, DFT and molecular docking studies of Rh(III) complexes of Coumarinyl‐Thiosemicarbazone nuclei based ligands

Antibacterial, DFT and molecular docking studies of Rh(III) complexes of Coumarinyl‐Thiosemicarbazone nuclei based ligands

Synthesis and antimicrobial properties of some new thiazolyl coumarin derivatives

3-{2-[2-(3-Hydroxybenzylidene)hydrazin-1-yl]-1,3-thiazol-4-yl}-2H-chromen-2-one hemihydrate

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