• Saqib Ali

      Articles written in Journal of Chemical Sciences

    • Origin and switch of different colors: Thermo-isomerism and crystal structure of (1E,2E)-bis[1-(4-nitrophenyl)ethylidene] hydrazine

      Said Tighadouini Smaail Radi Loic Toupet Muhammad Sirajuddin Taibi Ben Hadda Mehmet Akkurt Ismail Warad Yahia N Mabkhot Saqib Ali

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      A new symmetric branched 4-nitrophenyl hydrazine compound has been prepared in one-step procedure by direct condensation of aromatic ketone with hydrazine in MeOH. The synthesized compound, red isomer, was characterized by IR, 1H and 13C NMR spectroscopy, Elemental analyses, Mass spectrometry and X-ray crystallography. Refluxing in MeOH solution led to thermo-isomerism offering a white isomer product that was characterized by X-ray crystallography. The red isomer crystallizes in the orthorhombic system having space group Pbcn, with a = 12.7612(4), b = 11.5197(3), c = 20.1586(7) Å, V = 2963.42(16)Å3, Z = 8 while the white isomer crystallizes in the triclinic system having space group P−1, with a = 7.8007(4), 8.5966(7), 12.224 (1) Å, 𝛼 = 71.133(7), 𝛽 = 81.281(5), 𝛾 = 74.895(5)°, V = 746.86(9)Å3, Z = 2. Molecules of both compounds are twisted at N2–N3 bond with the C7-N2-N3-C9 torsion angle of 155.23(12) and −113.36(18)°, respectively. The crystal structures of both compounds are stabilized by weak intramolecular C—H. . .N contacts and intermolecular C—H. . .O hydrogen bonding interactions. In addition, 𝜋–𝜋 stacking interactions are observed between the same aromatic rings of molecules.

    • Synthesis, physicochemical characterization, DNA binding and in silico studies of (E)-4-((2-methoxyphenyl)amino)-4-oxobut-2-enoic acid and its triorganotin complexes


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      The ligand, (E)-4-((2-methoxyphenyl)amino)-4-oxobut-2-enoic acid, and its tri-butylstannyl (E)-4-((2-methoxyphenyl)amino)-4-oxobut-2-enoate, trimethylstannyl (E)-4-((2-methoxyphenyl)amino)-4-oxo but-2-enoate and triethylstannyl (E)-4-((2-methoxyphenyl)amino)-4-oxobut-2-enoate complexes wereobtained and characterized by different techniques. The spectroscopic data revealed the presence of the OH inthe FTIR and NMR spectra of the (E)-4-((2-methoxyphenyl)amino)-4-oxobut-2-enoic acid and the absence ofthis peak in the spectra of the complexes confirm their successful formation. The geometry confirmation wasdone using single-crystal X-ray diffraction and found a 5-coordinated distorted trigonal bipyramidal comprising of the O1 of the carboxylate moiety, O3 of the amide moiety occupying the axial position while thethree equatorial positions were occupied by the carbon atoms of the three butyl groups. The result of the DNAinteraction of the representative compounds explored an intercalative binding mode as confirmed by UV-Visible spectroscopy and viscometry. The in silico study performed by SwissADME webserver suggested thatreported compounds obey the rules of drug-likeness.

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