Synthesis, crystal structure and Hirshfeld surface analysis of bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κO)bis(picolinato-κ2N,O)copper(II)
In the title coordination complex, (C4H8N3S2)2[Cu(C6H4NO2)2(ClO4)2], the CuII center exhibits a distorted octahedral geometry with an equatorial plane formed by two bidentate picolinato ligands and axial coordination from two perchlorate anions, consistent with a Jahn–Teller distortion. The crystal...
| الحاوية / القاعدة: | Acta Crystallographica Section E: Crystallographic Communications |
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| المؤلفون الرئيسيون: | , , , , , |
| التنسيق: | مقال |
| اللغة: | الإنجليزية |
| منشور في: |
International Union of Crystallography
2025-07-01
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| الموضوعات: | |
| الوصول للمادة أونلاين: | https://journals.iucr.org/paper?S2056989025004992 |
| _version_ | 1849449322076176384 |
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| author | Gulnaz Khojabaeva Batirbay Torambetov Rajesh G. Gonnade Zamira Uzakbergenova Abdusamat Rasulov Shakhnoza Kadirova |
| author_facet | Gulnaz Khojabaeva Batirbay Torambetov Rajesh G. Gonnade Zamira Uzakbergenova Abdusamat Rasulov Shakhnoza Kadirova |
| author_sort | Gulnaz Khojabaeva |
| collection | DOAJ |
| container_title | Acta Crystallographica Section E: Crystallographic Communications |
| description | In the title coordination complex, (C4H8N3S2)2[Cu(C6H4NO2)2(ClO4)2], the CuII center exhibits a distorted octahedral geometry with an equatorial plane formed by two bidentate picolinato ligands and axial coordination from two perchlorate anions, consistent with a Jahn–Teller distortion. The crystal structure is further consolidated by a network of hydrogen bonds involving the thiadiazole-based cations, which reside in the outer coordination sphere in a unique protonated state. Hirshfeld surface analysis reveals that O...H/H...O contacts dominate the intermolecular interactions, contributing significantly to the crystal packing. |
| format | Article |
| id | doaj-art-0772da4c96bd4f4392895334bcbb3e2c |
| institution | Directory of Open Access Journals |
| issn | 2056-9890 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| spelling | doaj-art-0772da4c96bd4f4392895334bcbb3e2c2025-08-20T03:28:37ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902025-07-0181761361710.1107/S2056989025004992tx2099Synthesis, crystal structure and Hirshfeld surface analysis of bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κO)bis(picolinato-κ2N,O)copper(II)Gulnaz Khojabaeva0Batirbay Torambetov1Rajesh G. Gonnade2Zamira Uzakbergenova3Abdusamat Rasulov4Shakhnoza Kadirova5National 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, UzbekistanPhysical and Material Chemistry Division, CSIR-National Chemical Laboratory, Pune, 411008, IndiaKarakalpak State University, 1 Ch. Abdirov St. Nukus, 230112, UzbekistanTermez University of Economics and Service, 41B Farovon St., Termiz, 190111, UzbekistanNational University of Uzbekistan named after Mirzo Ulugbek, 4 University St., Tashkent, 100174, UzbekistanIn the title coordination complex, (C4H8N3S2)2[Cu(C6H4NO2)2(ClO4)2], the CuII center exhibits a distorted octahedral geometry with an equatorial plane formed by two bidentate picolinato ligands and axial coordination from two perchlorate anions, consistent with a Jahn–Teller distortion. The crystal structure is further consolidated by a network of hydrogen bonds involving the thiadiazole-based cations, which reside in the outer coordination sphere in a unique protonated state. Hirshfeld surface analysis reveals that O...H/H...O contacts dominate the intermolecular interactions, contributing significantly to the crystal packing.https://journals.iucr.org/paper?S2056989025004992crystal structurecopper(ii) complexpicolinate ligandthiadiazole cationhirshfeld surface analysishydrogen bondingsupramolecular interactionsjahn–teller distortion |
| spellingShingle | Gulnaz Khojabaeva Batirbay Torambetov Rajesh G. Gonnade Zamira Uzakbergenova Abdusamat Rasulov Shakhnoza Kadirova Synthesis, crystal structure and Hirshfeld surface analysis of bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κO)bis(picolinato-κ2N,O)copper(II) crystal structure copper(ii) complex picolinate ligand thiadiazole cation hirshfeld surface analysis hydrogen bonding supramolecular interactions jahn–teller distortion |
| title | Synthesis, crystal structure and Hirshfeld surface analysis of bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κO)bis(picolinato-κ2N,O)copper(II) |
| title_full | Synthesis, crystal structure and Hirshfeld surface analysis of bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κO)bis(picolinato-κ2N,O)copper(II) |
| title_fullStr | Synthesis, crystal structure and Hirshfeld surface analysis of bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κO)bis(picolinato-κ2N,O)copper(II) |
| title_full_unstemmed | Synthesis, crystal structure and Hirshfeld surface analysis of bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κO)bis(picolinato-κ2N,O)copper(II) |
| title_short | Synthesis, crystal structure and Hirshfeld surface analysis of bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κO)bis(picolinato-κ2N,O)copper(II) |
| title_sort | synthesis crystal structure and hirshfeld surface analysis of bis 2 amino 5 ethylsulfanyl 1 3 4 thiadiazol 3 ium bis perchlorato κo bis picolinato κ2n o copper ii |
| topic | crystal structure copper(ii) complex picolinate ligand thiadiazole cation hirshfeld surface analysis hydrogen bonding supramolecular interactions jahn–teller distortion |
| url | https://journals.iucr.org/paper?S2056989025004992 |
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