{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,27]],"date-time":"2026-08-27T18:04:15Z","timestamp":1787853855109,"version":"build-2784847793"},"reference-count":61,"publisher":"MDPI AG","issue":"11","license":[{"start":{"date-parts":[[2022,10,28]],"date-time":"2022-10-28T00:00:00Z","timestamp":1666915200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100002632","name":"Hallym University Research Fund","doi-asserted-by":"publisher","award":["HRF-202205-004"],"award-info":[{"award-number":["HRF-202205-004"]}],"id":[{"id":"10.13039\/501100002632","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Antioxidants"],"abstract":"<jats:p>The hydrazine derivatives are known to possess several biological activities including anticancer, antibacterial and anti-fungal, anticonvulsant, and antioxidant. This communication presents the synthesis, X-ray crystal structure analysis, DFT calculations, cell cytotoxicity, and antioxidant activity of the Schiff base 4,4\u2032-((1E,1\u2032E)-hydrazine-1,2-diylidenebis(ethan-1-yl-1-ylidene))bis(benzene-1,3-diol) (compound 2). We have also isolated the side product compound 1 and characterized it using single X-ray crystallography. The crystal structure of compound 1 depicts that the ensuing C\u2013H\u00b7\u00b7\u00b7N hydrogen bonding interaction is presented and discussed herein. In addition, the calculations using density functional theory (DFT) approximation supported by experimental 1H and 13C NMR studies on the key compound 2 are reported. The results of theoretical and experimental 1H and 13C NMR were concordant. The antioxidant activity of compound 2 was determined by using 2,2\u2032-azinobis(3-ethylbenzthiazoline-6-sulfonic acid) (ABTS\u2022+) radical cation assays and 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical assay. Compound 2 demonstrated excellent antioxidant activity in ABTS assay (IC50 = 4.30 \u00b1 0.21 \u00b5M) and DPPH assay (IC50 = 81.06 \u00b1 0.72 \u00b5M) with almost no cytotoxicity below 25 \u00b5M.<\/jats:p>","DOI":"10.3390\/antiox11112138","type":"journal-article","created":{"date-parts":[[2022,10,29]],"date-time":"2022-10-29T23:45:00Z","timestamp":1667087100000},"page":"2138","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":22,"title":["Exploration of Molecular Structure, DFT Calculations, and Antioxidant Activity of a Hydrazone Derivative"],"prefix":"10.3390","volume":"11","author":[{"given":"Kundan","family":"Tayade","sequence":"first","affiliation":[{"name":"School of Chemical Sciences, North Maharashtra University, Jalgaon 425001, India"},{"name":"Department of Chemistry and Analytical Chemistry, Rajarshi Shahu Mahavidyalaya, Latur 413512, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gyu-Seong","family":"Yeom","sequence":"additional","affiliation":[{"name":"Institute of Applied Chemistry and Department of Chemistry, Hallym University, Chuncheon 24252, Korea"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Suban K.","family":"Sahoo","sequence":"additional","affiliation":[{"name":"Department of Applied Chemistry, S.V. National Institute of Technology, Surat 395007, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Horst","family":"Puschmann","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Durham University, Durham DH1 3LE, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5137-0584","authenticated-orcid":false,"given":"Satish Balasaheb","family":"Nimse","sequence":"additional","affiliation":[{"name":"Institute of Applied Chemistry and Department of Chemistry, Hallym University, Chuncheon 24252, Korea"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anil","family":"Kuwar","sequence":"additional","affiliation":[{"name":"School of Chemical Sciences, North Maharashtra University, Jalgaon 425001, India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2022,10,28]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"275","DOI":"10.3998\/ark.5550190.0011.108","article-title":"Synthesis and properties of hydrazones bearing amide, thioamide and amidine functions","volume":"2010","author":"Belskaya","year":"2010","journal-title":"ARKIVOC"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"2599","DOI":"10.1021\/acschemneuro.8b00099","article-title":"Aminoguanidine Hydrazone Derivatives as Nonpeptide NPFF1 Receptor Antagonists Reverse Opioid Induced Hyperalgesia","volume":"9","author":"Hammoud","year":"2018","journal-title":"ACS Chem. 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