Organic fluorine involved intramolecular hydrogen bonds in the derivatives of imides: NMR evidence corroborated by DFT based theoretical calculations

RSC Advances ◽  
2015 ◽  
Vol 5 (105) ◽  
pp. 86013-86022 ◽  
Author(s):  
Sandeep Kumar Mishra ◽  
N. Suryaprakash
Keyword(s):  
Hydrogen Bonds ◽  
Theoretical Calculations ◽  
Rare Occurrence ◽  
Intramolecular Hydrogen Bonds ◽  
Multinuclear Nmr ◽  
Intramolecular Hydrogen ◽  
Derivatives Of ◽  
Organic Fluorine

The rare occurrence of intramolecular hydrogen bonds (HBs) of the type N–H⋯F–C is detected in the derivatives of imides in a low polarity solvent by using multi-dimensional and multinuclear NMR experiments.

Intramolecular hydrogen bonds involving organic fluorine in the derivatives of hydrazides: an NMR investigation substantiated by DFT based theoretical calculations

2015 ◽  
Vol 17 (23) ◽  
pp. 15226-15235 ◽  
Author(s):  
Sandeep Kumar Mishra ◽  
N. Suryaprakash
Keyword(s):  
Hydrogen Bonds ◽  
Theoretical Calculations ◽  
Two Dimensional ◽  
Dimensional Solution ◽  
Intramolecular Hydrogen Bonds ◽  
Solution State ◽  
Nmr Techniques ◽  
Intramolecular Hydrogen ◽  
Derivatives Of ◽  
Organic Fluorine

The rare examples of intramolecular hydrogen bonds (HB) of the type the N–H⋯F–C, detected in a low polarity solvent in the derivatives of hydrazides, by utilizing one and two-dimensional solution state multinuclear NMR techniques, are reported.

Hydrogen bonds in derivatives of N-substituted N’-benzoyl- and N’-(2-chlorobenzoyl)thiourea

1991 ◽  
Vol 56 (4) ◽  
pp. 880-885 ◽  
Author(s):  
Oľga Hritzová ◽  
Dušan Koščík
Keyword(s):  
Hydrogen Bonds ◽  
Spectral Studies ◽  
Intramolecular Hydrogen Bonds ◽  
Tautomeric Forms ◽  
Intramolecular Hydrogen ◽  
Derivatives Of

Intramolecular hydrogen bonds of the N-H···O=C type have been detected in the derivatives of N-substituted N’-benzoyl- and N’-(2-chlorobenzoyl)thiourea on the basis of IR spectral studies. The title compounds can exist in two tautomeric forms.

Intramolecular hydrogen bonds in the sulfonamide derivatives of oxamide, dithiooxamide, and biuret. FT-IR and DFT study, AIM and NBO analysis

Tetrahedron ◽  
2010 ◽  
Vol 66 (44) ◽  
pp. 8551-8556 ◽  
Author(s):  
B.A. Shainyan ◽  
N.N. Chipanina ◽  
T.N. Aksamentova ◽  
L.P. Oznobikhina ◽  
G.N. Rosentsveig ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Nbo Analysis ◽  
Dft Study ◽  
Intramolecular Hydrogen Bonds ◽  
Ft Ir ◽  
Intramolecular Hydrogen ◽  
Derivatives Of ◽  
Aim And Nbo

Synthesis of 4-Aryl-3(5)-(2-hydroxyphenyl)pyrazoles by Reaction of Isoflavones and their 4-Thio Analogues with Hydrazine Derivatives

2007 ◽  
Vol 60 (12) ◽  
pp. 905 ◽  
Author(s):  
Albert Lévai ◽  
Artur M. S. Silva ◽  
José A. S. Cavaleiro ◽  
José Elguero ◽  
Ibon Alkorta ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Nmr Spectroscopy ◽  
Hydrogen Bonds ◽  
Hydrazine Hydrate ◽  
1H Nmr ◽  
Theoretical Calculations ◽  
Intramolecular Hydrogen Bonds ◽  
Nmr Study ◽  
Intramolecular Hydrogen ◽  
New Compounds

4-Aryl-3(5)-2-(hydroxyphenyl)pyrazoles have been prepared by the reaction of isoflavones and their 4-thio analogues with hydrazine hydrate and phenylhydrazine in hot pyridine. The reaction mechanism for the formation of these pyrazoles is discussed. All the new compounds have been fully characterized by NMR spectroscopy. In [D6]DMSO, a 1H NMR study allows observation of the presence of both pyrazole annular tautomers, due to the presence of intramolecular hydrogen bonds in each tautomer (OH···N and NH···O). Theoretical calculations have been carried out on tautomers and conformers of compounds 20 (3(5)-(2-hydroxy-4-methoxyphenyl)-5(3)-methyl-4-phenylpyrazole) and 21 (3(5)-(2-hydroxy-4-methoxyphenyl)-4-(2-methoxyphenyl)-5(3)-methylpyrazole), including the absolute shieldings (GIAO/B3 LYP/6–311++G**) of 21.

scholarly journals Intramolecular hydrogen bond directed distribution of conformational populations in the derivatives of N′-benzylidenebenzohydrazide

2019 ◽  
Vol 43 (33) ◽  
pp. 13134-13142 ◽  
Author(s):  
Neeru Arya ◽  
Sandeep Kumar Mishra ◽  
N. Suryaprakash
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Intramolecular Hydrogen Bond ◽  
Intramolecular Hydrogen Bonds ◽  
Intramolecular Hydrogen ◽  
Derivatives Of

The extensive NMR investigations reveal the presence of E-isomers in the derivative of N′-benzylidenebenzohydrazide. The different conformer populations are controlled by the strength of intramolecular hydrogen bonds.

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