3,4,5-TrimethoxyN-(salicylidene) aniline was synthesized and characterized by IR spectroscopy,1H NMR and x-ray single crystal analysis. UV-visible spectroscopy was used for physicochemical tests. X-ray data reveals that the crystalline network cohesion of this compound is essentially assured by CH/pi type hydrogen bounds. It crystallized in the orthorhombic Pbcn space group. Electronic spectroscopy shows that the title compound doesn't present photochromic property but thermochromic one. Intermolecular interactions analysis confirms for this compound a thermochromic structural predisposition.
The theoretical study of α-, β-, γ-, δ-, ε- MCl2(Azpy)2 isomers with (M = Fe, Os and Ru) complexes is carried out using Density Functional Theory (DFT) at the B3LYP / LANL2DZ level. This study is focused not only on the effect of metals over geometric, electronic and reactivity parameters, but also on their anti-cancer effect. Its results that the geometric parameters undergo small modifications. These modifications evolve from iron to osmium through ruthenium complexes. Thus, the lengths of the bonds M-X (with X = Cl, N2, Npy) follow the following order Fe-X <Ru-X <Os-X. However, regarding their angular variation that undergoes deformation through the octahedron shape, it could be related to Jahn Teller effect. Also, the substitution of Ru by Os would increase the reactivity of these complexes. Among the isomers studied, the ε-Fe, δ-Ru and δ-Os complexes are likely to bind easily to the DNA. The values of the dipole moments are arranged in the following order: μ (ε-M)> μ (β-M)> μ (α-M)> μ (γ-M)> μ (δ-M) within these azopyridine complexes. Finally, we notice that the substitution of Ru by Os improves the cytotoxicity and the fluorescence of these complexes. The δ-Os isomer has the best cytotoxic and photosensitive characteristics of these azopyridine complexes and would be the ideal isomer for the diagnosis and treatment of cancers.
Two sterols namely β-sitosterol (1) and stigmasterol (2) were isolated from methanolic extract of the fruit barks of Coelocaryon klainei Pierre ex Heckel (Myristicaceae). They were isolated for the first time from this species. It is the first isolation of compounds in this genus Coelocaryon. The structures were elucidated on the basis of one and two-dimensional NMR, SM, IR and UV.Akoubet et al., International Current Pharmaceutical Journal, August 2017, 6(9): 49-52http://www.icpjonline.com/documents/Vol6Issue9/01.pdf
From (2,3-dihydro-1H-perimidin-2-yl)-phenyl, the substitution of OH group in ortho or para position on the phenyl ring, allows us to synthesize the studied compounds. These three compounds have been characterized by conventional spectroscopic methods (NMR and MS). The interest of this work is to review the antioxidant activity of our compounds. The antioxidant activity screening carried out according to FRAP and DPPH methods revealed significant anti-free radical properties for compounds 1 and 2 even at low concentrations. In contrast to the compound 2, compound 3 for which the OH group is substituted in para position has the lowest activity in both cases. Therefore the para position seems to be the least sensitive position to increase the antioxidant activity of this pharmacophore.
The title compound, C18H16N2O2, consists of perimidine and methoxyphenol units, where the tricyclic perimidine unit contains a naphthalene ring system and a non-planar C4N2 ring adopting an envelope conformation with the NCN group hinged by 47.44 (7)° with respect to the best plane of the other five atoms. In the crystal, O—HPhnl...NPrmdn and N—HPrmdn...OPhnl (Phnl = phenol and Prmdn = perimidine) hydrogen bonds link the molecules into infinite chains along the b-axis direction. Weak C—H...π interactions may further stabilize the crystal structure. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (49.0%), H...C/C...H (35.8%) and H...O/O...H (12.0%) interactions. Hydrogen bonding and van der Waals interactions are the dominant interactions in the crystal packing. Computational chemistry indicates that in the crystal, the O—HPhnl...NPrmdn and N—HPrmdn...OPhnl hydrogen-bond energies are 58.4 and 38.0 kJ mol−1, respectively. Density functional theory (DFT) optimized structures at the B3LYP/ 6–311 G(d,p) level are compared with the experimentally determined molecular structure in the solid state. The HOMO–LUMO behaviour was elucidated to determine the energy gap.
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