{"title":"双-（苯并噻唑-2-硫醇-κ s）（1,10-phen-anthroline-κ 2n，N'）锌的合成及晶体结构分析","authors":"Gulchekhra Abdullayeva, Batirbay Torambetov, Shakhnoza Kadirova, Shahlo Daminova","doi":"10.1107/S2056989025005468","DOIUrl":null,"url":null,"abstract":"<p><p>The coordination complex [Zn(C<sub>7</sub>H<sub>4</sub>NS<sub>2</sub>)<sub>2</sub>(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)] or [Zn(MBT)<sub>2</sub>(phen)], was synthesized using ethanol solutions of Zn(CH<sub>3</sub>COO)<sub>2</sub>·2H<sub>2</sub>O, 1,10-phenanthroline (phen) and 2-mercaptobenzo-thia-zole (MBTH-neutral). Single-crystal X-ray diffraction analysis revealed that the zinc atom resides on a crystallographic twofold axis within the asymmetric unit. In the complex, the zinc atom coordinates two 2-mercaptobenzo-thia-zolate (MBT; anionic form of MBTH) ligands in a monodentate fashion through their sulfur atoms, while phenanthroline acts as a bidentate ligand, chelating the zinc center. Further structural analysis, including Hirshfeld surface and two-dimensional fingerprint plot studies, indicated the presence of multiple inter-molecular inter-actions, particularly C-H⋯N and C-H⋯π interactions, contributing to the cohesion and packing of the crystal structure.</p>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 Pt 7","pages":"642-645"},"PeriodicalIF":0.5000,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12230606/pdf/","citationCount":"0","resultStr":"{\"title\":\"Synthesis and crystal structure analysis of bis-(benzo-thia-zole-2-thiol-ato-κ<i>S</i>)(1,10-phen-anthroline-κ<sup>2</sup> <i>N</i>,<i>N</i>')zinc(II).\",\"authors\":\"Gulchekhra Abdullayeva, Batirbay Torambetov, Shakhnoza Kadirova, Shahlo Daminova\",\"doi\":\"10.1107/S2056989025005468\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The coordination complex [Zn(C<sub>7</sub>H<sub>4</sub>NS<sub>2</sub>)<sub>2</sub>(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)] or [Zn(MBT)<sub>2</sub>(phen)], was synthesized using ethanol solutions of Zn(CH<sub>3</sub>COO)<sub>2</sub>·2H<sub>2</sub>O, 1,10-phenanthroline (phen) and 2-mercaptobenzo-thia-zole (MBTH-neutral). Single-crystal X-ray diffraction analysis revealed that the zinc atom resides on a crystallographic twofold axis within the asymmetric unit. In the complex, the zinc atom coordinates two 2-mercaptobenzo-thia-zolate (MBT; anionic form of MBTH) ligands in a monodentate fashion through their sulfur atoms, while phenanthroline acts as a bidentate ligand, chelating the zinc center. Further structural analysis, including Hirshfeld surface and two-dimensional fingerprint plot studies, indicated the presence of multiple inter-molecular inter-actions, particularly C-H⋯N and C-H⋯π interactions, contributing to the cohesion and packing of the crystal structure.</p>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"81 Pt 7\",\"pages\":\"642-645\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2025-06-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12230606/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/S2056989025005468\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/7/1 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S2056989025005468","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/7/1 0:00:00","PubModel":"eCollection","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Synthesis and crystal structure analysis of bis-(benzo-thia-zole-2-thiol-ato-κS)(1,10-phen-anthroline-κ2N,N')zinc(II).
The coordination complex [Zn(C7H4NS2)2(C12H8N2)] or [Zn(MBT)2(phen)], was synthesized using ethanol solutions of Zn(CH3COO)2·2H2O, 1,10-phenanthroline (phen) and 2-mercaptobenzo-thia-zole (MBTH-neutral). Single-crystal X-ray diffraction analysis revealed that the zinc atom resides on a crystallographic twofold axis within the asymmetric unit. In the complex, the zinc atom coordinates two 2-mercaptobenzo-thia-zolate (MBT; anionic form of MBTH) ligands in a monodentate fashion through their sulfur atoms, while phenanthroline acts as a bidentate ligand, chelating the zinc center. Further structural analysis, including Hirshfeld surface and two-dimensional fingerprint plot studies, indicated the presence of multiple inter-molecular inter-actions, particularly C-H⋯N and C-H⋯π interactions, contributing to the cohesion and packing of the crystal structure.
期刊介绍：
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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