<i>N</i>′-[(<i>E</i>)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate

Nair, Yamuna; Sithambaresan, M.; Kurup, M.R. Prathapachandra

doi:10.1107/s1600536812035179

Cited by 16 publications

(4 citation statements)

References 8 publications

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“…1) agree well with those reported for similar structures (Maheswari et al, 2016;Nair et al, 2012). The conformation about the C7 N1 bond is E. The dihedral angle between methoxyphenyl ring and trifluorobenzylidene ring is 7.…”

Section: Structure Descriptionsupporting

confidence: 81%

(E)-4-Methoxy-N′-(2,4,5-trifluorobenzylidene)benzohydrazide monohydrate

Maheswari¹,

Manjula

Gunasekaran

et al. 2016

IUCrData

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The title Schiff base compound, C15H11F3N2O2·H2O, crystallized as a monohydrate. The conformation about the C=N bond isE. The molecule is almost planar, with the dihedral angle between the planes of the methoxybenzene and trifluorobenzylidene rings being 7.46 (6)°. In the crystal, molecules are linked by bifurcated Owater—H...(O,N) hydrogen bonds and N—H...Owaterand Owater—H...O and C—H...O hydrogen bonds, forming chains along [100]. The chains are linked by C—H...Owaterhydrogen bonds, forming slabs parallel to thebcplane. Within the slabs there are offset π–π interactions present [intercentroid distance = 3.7883 (7) Å].

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Section: Structure Descriptionsupporting

confidence: 81%

(E)-4-Methoxy-N′-(2,4,5-trifluorobenzylidene)benzohydrazide monohydrate

Maheswari¹,

Manjula

Gunasekaran

et al. 2016

IUCrData

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“…The bond length of 1.346(2) Å between N2 and C6 which is greater than the value for a double bond and less than that for a single bond indicates conjugation in the molecule. The bond lengths and angles are similar to those found in related compounds [14][15][16][17]. The E-configuration of the molecule is established by the torsion angle N2-N1-C5-C4 which assumes a value of 178.9(2) ( Table 2).…”

Section: Resultsmentioning

confidence: 91%

Synthesis, characterization and crystal structure of N'-[(E)-furan-2-ylmethylidene]furan-2-carbohydrazide

2014

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“…The aroylhydrazone of our interest N′-[(E)-(3-fluoropyridin-2-yl)methylidene] benzohydrazide monohydrate (HFPB•H2O) was synthesized by adapting a previously reported procedure [19] via condensation between 3-flouropicolinaldehyde and the corresponding aroylhydrazide (Scheme 1). The synthesis and crystal structure of HFPB•H2O have been published earlier [20]. To validate the utility of this methodology, the reaction was also performed with different stoichiometric ratios of the reactants.…”

Section: Synthesis Of the Aroylhydrazone And Its Ni(ii) Chelatesmentioning

confidence: 99%

Synthesis, Spectroscopic, X-ray Diffraction and Theoretical Studies of some Novel Nickel(II) Chelates of a Heterocyclic Based Tridentate NNO donor Aroylhydrazone: In vitro DNA Binding and Docking studies

Nair

Joy

Kurup

et al. 2021

Preprint

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Five new nickel(II) complexes have been synthesised with an NNO donor tridentate aroylhydrazone (HFPB) employing the chloride, nitrate, acetate and perchlorate salts, and all the complexes were physiochemically characterized. Elemental analyses suggested a deprotonated iminolate form of the ligand in four of the complexes, however in one case (2), two aroylhydrazone moieties are binding to the metal centre in the neutral and anionic forms. The structure of the bisligated complex 5, characterized using X ray diffraction studies affirmed that the metal has a distorted octahedral N4O2 coordination environment, with each of the two ligands coordinating through the pyridine nitrogen, imino-hydrazone nitrogen and the deprotonated oxygen of the hydrazone moiety. In order to compare and study the elctronic interactions and stabilities of the metal complexes various quantum chemical parameters were calculated. Moreover, Hirshfeld surface analaysis was carried out for complex 5 in order to determine the intermolecular interactions. The biophysical attributes of the ligand and complex 5 have been investigated with CT DNA and experimental outcomes show that the Ni(II) complex exhibited higher binding propensity towards DNA as compared to ligand. Furthermore, in order to specifically understand the type of interactions of the meatal complexes with DNA molecular docking studies were carried out. In addition, the electronic and related reactivity behaviors of the ligand and five Ni(II) complexes were effectuated using B3LYP/6-31++g**/LANL2DZ level. As expected, the obtained results from NBO computations displayed that the resonance interactions (n→π* and π→π*) play a determinant role in evaluating the chemical attributes of the reported compounds.

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N′-[(E)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate

Cited by 16 publications

References 8 publications

(E)-4-Methoxy-N′-(2,4,5-trifluorobenzylidene)benzohydrazide monohydrate

(E)-4-Methoxy-N′-(2,4,5-trifluorobenzylidene)benzohydrazide monohydrate

Synthesis, characterization and crystal structure of N'-[(E)-furan-2-ylmethylidene]furan-2-carbohydrazide

Synthesis, Spectroscopic, X-ray Diffraction and Theoretical Studies of some Novel Nickel(II) Chelates of a Heterocyclic Based Tridentate NNO donor Aroylhydrazone: In vitro DNA Binding and Docking studies

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