{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,28]],"date-time":"2026-09-28T20:54:30Z","timestamp":1790628870183,"version":"4.1.0"},"reference-count":79,"publisher":"MDPI AG","issue":"22","license":[{"start":{"date-parts":[[2022,11,11]],"date-time":"2022-11-11T00:00:00Z","timestamp":1668124800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Materials"],"abstract":"<jats:p>The slow solvent evaporation approach was used to create a single crystal of (C7H6N3O2)2[ZnCl4] at room temperature. Our compound has been investigated by single-crystal XRD which declares that the complex crystallizes in the monoclinic crystallographic system with the P21\/c as a space group. The molecular arrangement of the compound can be described by slightly distorted tetrahedral ZnCl42\u2212 anionic entities and 5-nitrobenzimidazolium as cations, linked together by different non-covalent interaction types (H-bonds, Cl\u2026Cl, \u03c0\u2026\u03c0 and C\u2013H\u2026\u03c0). Hirshfeld\u2019s surface study allows us to identify that the dominant contacts in the crystal building are H\u2026Cl\/Cl\u2026H contacts (37.3%). FT-IR method was used to identify the different groups in (C7H6N3O2)2[ZnCl4]. Furthermore, impedance spectroscopy analysis in 393 \u2264 T \u2264 438 K shows that the temperature dependence of DC conductivity follows Arrhenius\u2019 law. The frequency\u2013temperature dependence of AC conductivity for the studied sample shows one region (Ea = 2.75 eV). In order to determine modes of interactions of compound with double stranded DNA, molecular docking simulations were performed at molecular level.<\/jats:p>","DOI":"10.3390\/ma15227973","type":"journal-article","created":{"date-parts":[[2022,11,14]],"date-time":"2022-11-14T04:24:10Z","timestamp":1668399850000},"page":"7973","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["A New Zn(II) Metal Hybrid Material of 5-Nitrobenzimidazolium Organic Cation (C7H6N3O2)2[ZnCl4]: Elaboration, Structure, Hirshfeld Surface, Spectroscopic, Molecular Docking Analysis, Electric and Dielectric Properties"],"prefix":"10.3390","volume":"15","author":[{"given":"Chaima","family":"Ayari","sequence":"first","affiliation":[{"name":"Materials Chemistry Laboratory, Faculty of Sciences of Bizerte, University of Carthage, Zarzouna, Bizerte 7021, Tunisia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abdullah A.","family":"Alotaibi","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Sciences and Humanities, Shaqra University, Ad-Dawadmi 11911, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0297-9489","authenticated-orcid":false,"given":"Mohammed A.","family":"Baashen","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Sciences and Humanities, Shaqra University, Ad-Dawadmi 11911, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fouzia","family":"Perveen","sequence":"additional","affiliation":[{"name":"School of Interdisciplinary Engineering and Sciences (SINES), NUST, H-12, Islamabad 44000, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abdulhadi H.","family":"Almarri","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University College of Al-Wajah, University of Tabuk, Tabuk 71421, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7270-4846","authenticated-orcid":false,"given":"Khalid M.","family":"Alotaibi","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science, King Saud University, Riyadh 12271, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammed S. 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