<i>N</i>′-[(<i>E</i>)-3-Pyridylmethylidene]benzohydrazide

Wen, Liyuan; Yin, Handong; Li, Wenkuan; Li, Kang

doi:10.1107/s160053680903894x

Cited by 12 publications

(3 citation statements)

References 2 publications

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“…The benzene ring is inclined to the pyridine ring by 5.7 (2)°. All the bond lengths are comparable with those observed in similar Schiff bases reported on previously (Wen et al, 2009;Mohd Lair et al, 2009;Sun et al, 2009).…”

Section: Sup-1supporting

confidence: 90%

(E)-N′-(3,5-Dibromo-2-hydroxybenzylidene)nicotinohydrazide

Liu

Wang

2010

Acta Cryst E

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In the title Schiff base compound, C13H9Br2N3O2, there is an intramolecular O-H⋯N hydrogen bond involving the hydroxyl substituent and the adjacent hydrazine N atom. The molecule is almost planar, the dihedral angle between the benzene ring and the pyridine ring being 5.7 (2)°. In the crystal structure, symmetry-related molecules are linked via N—H⋯O hydrogen bonds, forming chains propagating in [001].

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Section: Sup-1supporting

confidence: 90%

(E)-N′-(3,5-Dibromo-2-hydroxybenzylidene)nicotinohydrazide

Liu

Wang

2010

Acta Cryst E

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“…This intermolecular interaction is stabilizing in Curcumin. The bond lengths of C=O are lengthened in dimer optimization [26]. To find the most optimized geometry, the energy calculations are carried out for various possible conformers are listed in Table 2.…”

Section: Resultsmentioning

confidence: 99%

Medicinal Plant Using Ground State Stabilization of Natural Antioxidant Curcumin by Keto-Enol Tautomerisation

Manimaran¹,

Sambathkumar

Gayathri³

et al. 2018

Nat. Prod. Bioprospect.

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Curcumin is a medicinal agent that exhibits anti-cancer properties and bioactive pigment in Turmeric has a huge therapeutic value. It has a keto-enol moiety that gives rise to many of its chemical properties. A recent study has shown that keto-enol tautomerisation at this moiety is implicated the effect of curcumin. The tautomerisation of curcumin in methanol, acetone and acetonitrile are used in nuclear magnetic resonance (1H, 13C) spectroscopy. It was characterized using UV, IR and Raman spectral values. The molecular electrostatic potential surface of the Curcumin has been visualized in electropositive potential in the region of the CH3+ group and most electronegative potential in the two oxygen atom has very strong binding group. In the following, the modality of structural and thermo dynamical parameters, electrophilicity (ω), chemical potential (μ), chemical hardness (η) and electronic charge transfer confirms the local reactivity. The rate constant of tautomerisation of curcumin shows strong temperature dependence. Molecular electrostatic potential and Temperature dependence of various thermodynamic properties like is increase with increase in temperature for monomer and dimer of various electrical fields.

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“…The systematic comparison of the results from DFT theory with results of experiments has shown that the method using B3LYP functional is the most promising in providing correct vibrational wave numbers. The calculated geometrical parameters were compared with X-ray diffraction result [22]. Normal coordinate analyses were carried out for the title compound to provide a complete assignment of fundamental frequencies.…”

Section: Computational Detailsmentioning

confidence: 99%

Electronic structure investigations of 4-aminophthal hydrazide by UV–visible, NMR spectral studies and HOMO–LUMO analysis by ab initio and DFT calculations

Sambathkumar¹,

Jeyavijayan²,

Arivazhagan

2015

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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N′-[(E)-3-Pyridylmethylidene]benzohydrazide

Abstract: The title compound, C13H11N3O, was prepared by the reaction of benzohydrazide and nicotinaldehyde. The dihedral angle between the planes of the two aromatic rings is 47.78 (9)°. The crystal structure is stabilized by intermolecular N—H⋯N hydrogen-bonding interactions.

Cited by 12 publications

References 2 publications

(E)-N′-(3,5-Dibromo-2-hydroxybenzylidene)nicotinohydrazide

(E)-N′-(3,5-Dibromo-2-hydroxybenzylidene)nicotinohydrazide

Medicinal Plant Using Ground State Stabilization of Natural Antioxidant Curcumin by Keto-Enol Tautomerisation

Electronic structure investigations of 4-aminophthal hydrazide by UV–visible, NMR spectral studies and HOMO–LUMO analysis by ab initio and DFT calculations

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N′-[(E)-3-Pyridylmethylidene]benzohydrazide

Abstract: The title compound, C13H11N3O, was prepared by the reaction of benzohydrazide and nicotinaldehyde. The dihedral angle between the planes of the two aromatic rings is 47.78 (9)°. The crystal structure is stabilized by inter­molecular N—H⋯N hydrogen-bonding inter­actions.

Cited by 12 publications

References 2 publications

(E)-N′-(3,5-Dibromo-2-hydroxybenzylidene)nicotinohydrazide

(E)-N′-(3,5-Dibromo-2-hydroxybenzylidene)nicotinohydrazide

Medicinal Plant Using Ground State Stabilization of Natural Antioxidant Curcumin by Keto-Enol Tautomerisation

Electronic structure investigations of 4-aminophthal hydrazide by UV–visible, NMR spectral studies and HOMO–LUMO analysis by ab initio and DFT calculations

Contact Info

Product

Resources

About

Abstract: The title compound, C13H11N3O, was prepared by the reaction of benzohydrazide and nicotinaldehyde. The dihedral angle between the planes of the two aromatic rings is 47.78 (9)°. The crystal structure is stabilized by intermolecular N—H⋯N hydrogen-bonding interactions.