Synthesis, Crystal Structure, Hirshfeld Surface Analysis, DFT, and DNA-Binding Studies of (E)-2-(3-Hydroxy-4-Methoxybenzylidene)Hydrazinecarbothioamide

Journal Article · Sun Sep 15 04:00:00 EDT 2019 · Applied Biochemistry and Biotechnology

DOI:https://doi.org/10.1007/S12010-019-03008-Y· OSTI ID:22927607

Channar, Pervaiz Ali ^[1]; Arshad, Nasima; Farooqi, Shahid Iqbal ^[2]; Larik, Fayaz Ali; Saeed, Aamer ^[1]; Hökelek, Tuncer ^[3]; Shehzadi, Syeda Aaliya; Abbas, Nasir ^[1]; Flörke, Ulrich ^[4]

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1. Quaid-i-Azam University, Department of Chemistry (Pakistan)
2. Allama Iqbal Open University, Department of Chemistry, Faculty of Sciences (Pakistan)
3. Hacettepe University, Department of Physics, Faculty of Engineering (Turkey)
4. Universität Paderborn, Department Chemie, Fakultätfür Naturwissenschaften (Germany)

(E)-2-(3-Hydroxy-4-methoxybenzylidene)hydrazinecarbothioamide 3 was synthesized by reacting thiosemicarbazide with 2-hydorxy-3-methoxybenzaldehyde in dry ethanol. The structure was elucidated by spectroscopic (FT-IR, {sup 1}H NMR, and {sup 13}C NMR) and single crystal X-ray diffraction techniques. A detailed analysis of the intermolecular interactions has been performed based on the Hirshfeld surfaces and their associated two-dimensional fingerprint plots. DFT, spectroscopic, and electrochemical DNA-binding analysis confirmed that the compound is reactive to bind with DNA. Viscometric studies suggested that compound 3 has a mixed mode of interaction and intercalated into the DNA base pairs predominantly along with the possibility of electrostatic interactions. .

• OSTI ID: 22927607
• Journal Information: Applied Biochemistry and Biotechnology, Journal Name: Applied Biochemistry and Biotechnology Journal Issue: 1 Vol. 189; ISSN ABIBDL; ISSN 0273-2289
• Country of Publication: United States
• Language: English

Related Subjects

60 APPLIED LIFE SCIENCES
DNA
ETHANOL
NUCLEAR MAGNETIC RESONANCE
SYNTHESIS
X-RAY DIFFRACTION