4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol

Rani, C.V.; Mitu, Liviu; Chakkaravarthi, G.; Rajagopal, Gurusamy

doi:10.1107/s2414314617003960

Cited by 2 publications

(1 citation statement)

References 8 publications

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“…The diethyl amino group has a rotational disorder with site occupancies of 0.85(2) and 0.15(2) for the major and minor components, respectively. The structure was refined as a three‐component twin …”

Section: Resultsmentioning

confidence: 99%

Synthesis, physicochemical characterization and structural studies of new Schiff base ligand and its metal (II) complexes: In silico molecular docking analysis, antimicrobial activity and cytotoxicity

Rani¹,

Kesavan²,

Kumar³

et al. 2018

Applied Organom Chemis

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A new Schiff base ligand, namely 2-((4-(diethylamino)phenylimino)methyl)-4,6-di-tert-butylphenol (HL), and its derived metal (II) complexes [Cu (L) 2 ] (1), [Co (L) 2 ] (2) and [Zn (L) 2 ] (3) have been synthesized and characterized using various physicochemical techniques. Single-crystal X-ray diffraction studies confirm the structure of newly synthesized HL and complex 2. Density functional theory analysis was used to investigate their electronic structures and properties. In silico docking analysis revealed that complex 1 has significant DNA binding ability (atomic contact energy of −1008.26 kcal mol −1 ) and complex 2 has a greater affinity with human serum albumin (binding energy of −901.61 kcal mol −1 ). Complex 2 reveals the highest antimicrobial activity against both fungi and bacteria, whereas complex 1 shows greater cytotoxicity (IC 50 = 14.3 ±0.9 μg ml −1 ) to MCF-7 cancer cells.

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Section: Resultsmentioning

confidence: 99%

Synthesis, physicochemical characterization and structural studies of new Schiff base ligand and its metal (II) complexes: In silico molecular docking analysis, antimicrobial activity and cytotoxicity

Rani¹,

Kesavan²,

Kumar³

et al. 2018

Applied Organom Chemis

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4,6-Di-tert-butyl-2-({[4-(diethylamino)phenyl]imino}methyl)phenol

Rani¹,

Mitu²,

Chakkaravarthi³

et al. 2017

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The title compound, C25H36N2O, adopts anEconformation about the C=N bond. The dihedral angle between the aromatic rings is 35.6 (6)°. The molecular structure is stabilized by an O—H...N hydrogen bond, which forms anS(6) loop, and weak C—H...O contacts. Weak intermolecular C—H...π interactions are observed in the crystal packing. The diethylamino group has rotational disorder with site occupancies of 0.85 (2) and 0.15 (2) for the major and minor components, respectively. The structure was refined as a three-component twin.

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4,6-Di-tert-butyl-2-{(E)-[4-(dimethylamino)phenylimino]methyl}phenol

Cited by 2 publications

References 8 publications

Synthesis, physicochemical characterization and structural studies of new Schiff base ligand and its metal (II) complexes: In silico molecular docking analysis, antimicrobial activity and cytotoxicity

Synthesis, physicochemical characterization and structural studies of new Schiff base ligand and its metal (II) complexes: In silico molecular docking analysis, antimicrobial activity and cytotoxicity

4,6-Di-tert-butyl-2-({[4-(diethylamino)phenyl]imino}methyl)phenol

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