Synthesis, Crystal Structure, Hirshfeld Surface Analysis, DFT, and DNA-Binding Studies of (E)-2-(3-Hydroxy-4-Methoxybenzylidene)Hydrazinecarbothioamide
- Quaid-i-Azam University, Department of Chemistry (Pakistan)
- Allama Iqbal Open University, Department of Chemistry, Faculty of Sciences (Pakistan)
- Hacettepe University, Department of Physics, Faculty of Engineering (Turkey)
- 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, Vol. 189, Issue 1; Other Information: Copyright (c) 2019 Springer Science+Business Media, LLC, part of Springer Nature; Country of input: International Atomic Energy Agency (IAEA); ISSN 0273-2289
- Country of Publication:
- United States
- Language:
- English
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