Synthesis and crystal structure analysis of bis(benzothiazole-2-thiolato-κS)(1,10-phenanthroline-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-mercaptobenzothiazole (MBTH-neutral). Single-crystal X-ray diffraction analysis revealed that the zinc atom resides on a crystallographi...
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International Union of Crystallography
2025-07-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | https://journals.iucr.org/paper?S2056989025005468 |
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| author | Gulchekhra Abdullayeva Batirbay Torambetov Shakhnoza Kadirova Shahlo Daminova |
| author_facet | Gulchekhra Abdullayeva Batirbay Torambetov Shakhnoza Kadirova Shahlo Daminova |
| author_sort | Gulchekhra Abdullayeva |
| collection | DOAJ |
| description | 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-mercaptobenzothiazole (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-mercaptobenzothiazolate (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 intermolecular interactions, particularly C—H...N and C—H...π interactions, contributing to the cohesion and packing of the crystal structure. |
| format | Article |
| id | doaj-art-54d06ef143fa47458d0b0d2131de6da1 |
| institution | Kabale University |
| issn | 2056-9890 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj-art-54d06ef143fa47458d0b0d2131de6da12025-08-20T03:50:12ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902025-07-0181764264510.1107/S2056989025005468ox2015Synthesis and crystal structure analysis of bis(benzothiazole-2-thiolato-κS)(1,10-phenanthroline-κ2N,N′)zinc(II)Gulchekhra Abdullayeva0Batirbay Torambetov1Shakhnoza Kadirova2Shahlo Daminova3National University of Uzbekistan named after Mirzo Ulugbek, 4 University St., Tashkent, 100174, UzbekistanNational University of Uzbekistan named after Mirzo Ulugbek, 4 University St., Tashkent, 100174, UzbekistanNational University of Uzbekistan named after Mirzo Ulugbek, 4 University St., Tashkent, 100174, UzbekistanNational University of Uzbekistan named after Mirzo Ulugbek, 4 University St., Tashkent, 100174, UzbekistanThe 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-mercaptobenzothiazole (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-mercaptobenzothiazolate (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 intermolecular interactions, particularly C—H...N and C—H...π interactions, contributing to the cohesion and packing of the crystal structure.https://journals.iucr.org/paper?S2056989025005468crystal structuremolecular structurezinc complex2-mercaptobenzothiazole1,10-phenanthrolinehirshfeld surface |
| spellingShingle | Gulchekhra Abdullayeva Batirbay Torambetov Shakhnoza Kadirova Shahlo Daminova Synthesis and crystal structure analysis of bis(benzothiazole-2-thiolato-κS)(1,10-phenanthroline-κ2N,N′)zinc(II) Acta Crystallographica Section E: Crystallographic Communications crystal structure molecular structure zinc complex 2-mercaptobenzothiazole 1,10-phenanthroline hirshfeld surface |
| title | Synthesis and crystal structure analysis of bis(benzothiazole-2-thiolato-κS)(1,10-phenanthroline-κ2N,N′)zinc(II) |
| title_full | Synthesis and crystal structure analysis of bis(benzothiazole-2-thiolato-κS)(1,10-phenanthroline-κ2N,N′)zinc(II) |
| title_fullStr | Synthesis and crystal structure analysis of bis(benzothiazole-2-thiolato-κS)(1,10-phenanthroline-κ2N,N′)zinc(II) |
| title_full_unstemmed | Synthesis and crystal structure analysis of bis(benzothiazole-2-thiolato-κS)(1,10-phenanthroline-κ2N,N′)zinc(II) |
| title_short | Synthesis and crystal structure analysis of bis(benzothiazole-2-thiolato-κS)(1,10-phenanthroline-κ2N,N′)zinc(II) |
| title_sort | synthesis and crystal structure analysis of bis benzothiazole 2 thiolato κs 1 10 phenanthroline κ2n n zinc ii |
| topic | crystal structure molecular structure zinc complex 2-mercaptobenzothiazole 1,10-phenanthroline hirshfeld surface |
| url | https://journals.iucr.org/paper?S2056989025005468 |
| work_keys_str_mv | AT gulchekhraabdullayeva synthesisandcrystalstructureanalysisofbisbenzothiazole2thiolatoks110phenanthrolinek2nnzincii AT batirbaytorambetov synthesisandcrystalstructureanalysisofbisbenzothiazole2thiolatoks110phenanthrolinek2nnzincii AT shakhnozakadirova synthesisandcrystalstructureanalysisofbisbenzothiazole2thiolatoks110phenanthrolinek2nnzincii AT shahlodaminova synthesisandcrystalstructureanalysisofbisbenzothiazole2thiolatoks110phenanthrolinek2nnzincii |