1001027-87-7Relevant academic research and scientific papers
(E)-3-[(3-(Trifluoromethyl)phenylimino)methyl] benzene-1,2-diol: X-ray and DFT calculated structures
Kosar, Basak,Albayrak, Cigdem,Odabasoglu, Mustafa,Bueyuekguengoer, Orhan
, p. 481 - 487 (2010)
The crystal structure of (E)-3-[(3-(Trifluoromethyl)phenylimino)-methyl] benzene-1,2-diol was determined using X-ray diffraction and the molecular structure was investigated with density functional theory (DFT). The X-ray study showed that the title compound has a strong intramolecular O-H... N hydrogen bond and 3-dimensional crystal networks are primarily determined by O-H... O intermolecular hydrogen bonds and weak van der Waals interactions. The strong O-H... N bond is evidence of the preference for the phenol-imine tautomeric form in the solid state. Optimized molecular geometry was calculated with DFT at the B3LYP/6-31G(d,p) level. The results from both experiment and theoretical calculations for the title compound are compared with each other in this study. TUBITAK.
Synthesis, spectroscopic characterization, X-ray crystal structure, antimicrobial, DNA-binding, alkaline phosphatase and insulin-mimetic studies of oxidovanadium(IV) complexes of azomethine precursors
Munawar, Khurram Shahzad,Ali, Saqib,Tahir, Muhammad Nawaz,Khalid, Nasir,Abbas, Qamar,Qureshi, Irfan Zia,Hussain, Shabbir,Ashfaq, Muhammad
, p. 2275 - 2300 (2020)
A series of novel azomethine precursors were synthesized by the condensation reactions of 3-(trifluoromethyl)benzenamine (tfmb) with 2-hydroxybenzaldehyde (HL1) (tfmbs), 2,3-dihydroxybenzaldehyde (HL2) (tfmbdh), 2-hydroxy-1-naphthaldehyde (HL3) (tfmbnd) and 5-chloro-2-hydroxybenzaldehyde (HL4) (tfmbCl). The oxidovanadium(IV) complexes of the type [VO(tfmbs)2] (1), [VO(tfmbdh)2] (2), [VO(tfmbnd)2] (3) and [VO(tfmbCl)2] (4) were also prepared by the reaction of ligands HL1–HL4 with vanadyl(V) isopropoxide [VO(OCHMe2)3]. The synthesized compounds were characterized by elemental analysis, FT-IR, multinuclear (1H and 13C) NMR spectroscopies, magnetic susceptibility measurements and thermogravimetry. The studies revealed that binding of precursors with metal took place through azomethine nitrogen and phenolic oxygen. The single-crystal analysis of HL1, HL4 and 3 has been carried out. The intercalation mode of interaction of the complexes with Salmon sperm DNA (SS-DNA) was established by the observed hypochromicity through UV–vis spectroscopic studies. The determined negative ΔG values confirmed the spontaneity of the binding process of complexes with SS-DNA. All the synthesized precursors and complexes were screened for their alkaline phosphatase inhibition, antimicrobial, hemolytic and insulin-mimetic properties, which exhibited significant activities with a few exceptions.
