Synthesis, spectroscopic characterization, DFT studies and antifungal activity of (E)-4-amino-5-[N'-(2-nitro-benzylidene)-hydrazino]-2, 4-dihydro-[1, 2, 4] triazole-3 …
The hydrazino Schiff base (E)-4-amino-5-[N'-(2-nitro-benzylidene)-hydrazino]-2, 4-dihydro-
[1, 2, 4] triazole-3-thione was synthesized and structurally characterized by elemental …
[1, 2, 4] triazole-3-thione was synthesized and structurally characterized by elemental …
An experimental and DFT computational study on 4-(3-(1H-imidazol-1-yl)propyl)-5-methyl-2H-1,2,4-triazol-3(4H)-one monohydrate
The triazole compound 4-(3-(1 H-imidazol-1-yl) propyl)-5-methyl-2 H-1, 2, 4-triazol-3 (4 H)-
one monohydrate has been synthesised and characterised by 1H-NMR, 13C-NMR, IR, and …
one monohydrate has been synthesised and characterised by 1H-NMR, 13C-NMR, IR, and …
DFT computational modeling studies on 4-(2, 3-Dihydroxybenzylideneamino)-3-methyl-1H-1, 2, 4-triazol-5 (4H)-one
H Tanak - Computational And Theoretical Chemistry, 2011 - Elsevier
Density functional calculations of the structure, atomic charges, molecular electrostatic
potential and thermodynamic functions have been performed at B3LYP/6-31G (d) level of …
potential and thermodynamic functions have been performed at B3LYP/6-31G (d) level of …
Crystal structure, spectroscopic investigations and density functional studies of 4-(4-methoxyphenethyl)-5-benzyl-2H-1, 2, 4-triazol-3 (4H)-one monohydrate
Y Köysal, H Tanak - Spectrochimica Acta Part A: Molecular and …, 2012 - Elsevier
The triazol compound 4-(4-methoxyphenethyl)-5-benzyl-2H-1, 2, 4-triazol-3 (4H)-one
monohydrate (I) has been synthesized and characterized by 1H NMR, 13C NMR, IR, and X …
monohydrate (I) has been synthesized and characterized by 1H NMR, 13C NMR, IR, and X …
Quantum chemical computational studies on 5-(4-bromophenylamino)-2-methylsulfanylmethyl-2H-1, 2, 3-triazol-4-carboxylic acid ethyl ester
A Tokatlı, E Özen, F Ucun, S Bahçeli - Spectrochimica Acta Part A …, 2011 - Elsevier
The optimized molecular geometry, vibrational frequencies, and gauge including atomic
orbital (GIAO) 1H and 13C NMR shift values of 5-(4-bromophenylamino)-2 …
orbital (GIAO) 1H and 13C NMR shift values of 5-(4-bromophenylamino)-2 …
Crystal structure, spectroscopic, electronic, luminescent and nonlinear optical properties of (s)-4-Amino-5-(1-hydroxy-ethyl)-2, 4-dihydro-[1, 2, 4] triazole-3-thione: A …
Amino-5-(1-hydroxy-ethyl)-2, 4-dihydro-[1, 2, 4] triazole-3-thione was synthesized and
characterized by single crystal x-ray analysis. Thermodynamic calculations at B3LYP/6-31+ …
characterized by single crystal x-ray analysis. Thermodynamic calculations at B3LYP/6-31+ …
Synthesis, structural characterization and comparison of experimental and theoretical results by DFT level of molecular structure of 4-(4-methoxyphenethyl)-3, 5 …
(4-Methoxyphenethyl)-3, 5-dimethyl-4H-1, 2, 4-triazole (3) was synthesized from the reaction
of ethyl N′-acetylacetohydrazonate (1) with 2-(4-methoxyphenyl) ethanamine (2). The …
of ethyl N′-acetylacetohydrazonate (1) with 2-(4-methoxyphenyl) ethanamine (2). The …
Spectroscopy studies, X-ray diffraction and DFT, HF calculations of 4-allyl-5-(thiophen-2-ylmethyl)-2H-1, 2, 4-triazol-3 (4H)-one
In this work, 4-allyl-5-(thiophen-2-ylmethyl)-2H-1, 2, 4-triazol-3 (4H)-one has been
synthesized and characterized by using FT-IR, 1H NMR, UV–vis spectra and XRD (X-ray …
synthesized and characterized by using FT-IR, 1H NMR, UV–vis spectra and XRD (X-ray …
Crystal Structure of 2-((E)-(5-Bromo-2- hydroxybenzylidene)hydrazono)-1,2-diphenylethanone
The molecular structure of the title compound, C 21 H 15 Br 1 N 2 O 2, was characterized by
single crystal X-ray diffraction. The compound crystallizes in the triclinic sp. gr. P ̄ 1 P 1¯ …
single crystal X-ray diffraction. The compound crystallizes in the triclinic sp. gr. P ̄ 1 P 1¯ …
Analysis on molecular, spectroscopic and electronic behavior of 4, 4'-(butane-1, 4-diyl) bis (1-((1-(4-chlorobenzyl)-1H-1, 2, 3-triazol-5-yl) methyl)-3-methyl-1H-1, 2, 4 …
Abstract In this study, 4, 4'-(butane-1, 4-diyl) bis (1-((1-(4-chlorobenzyl)-1H-1, 2, 3-triazol-5-
yl) methyl)-3-methyl-1H-1, 2, 4-triazol-5 (4H)-one) was synthesized and characterized by FT …
yl) methyl)-3-methyl-1H-1, 2, 4-triazol-5 (4H)-one) was synthesized and characterized by FT …