Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
The title compound, C6H5N3S3, consists of two biologically relevant heterocyclic units, suggesting potential biological activity and possible use as a ligand in metal complexation. The compound crystallizes in the monoclinic space group P21/c and features non-classical intermolecular C—H...N hydroge...
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| Format: | Article |
| Language: | English |
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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?S2056989025004980 |
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| author | Ekaterina Kinshakova Batirbay Torambetov Manoj K Bharty Aziz Atashov Abdusamat Rasulov Shakhnoza Kadirova Rajesh G Gonnade |
| author_facet | Ekaterina Kinshakova Batirbay Torambetov Manoj K Bharty Aziz Atashov Abdusamat Rasulov Shakhnoza Kadirova Rajesh G Gonnade |
| author_sort | Ekaterina Kinshakova |
| collection | DOAJ |
| description | The title compound, C6H5N3S3, consists of two biologically relevant heterocyclic units, suggesting potential biological activity and possible use as a ligand in metal complexation. The compound crystallizes in the monoclinic space group P21/c and features non-classical intermolecular C—H...N hydrogen bonds, along with π–π stacking interactions that contribute to the crystal cohesion. Hirshfeld surface analysis highlights significant intermolecular interactions including, among others, N...H/H...N, S...H/H...S, and S...C/C...S contacts. |
| format | Article |
| id | doaj-art-ee8a90c4e6f44d56b8c604bc7ac5dd0c |
| institution | Matheson Library |
| 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-ee8a90c4e6f44d56b8c604bc7ac5dd0c2025-07-07T07:54:06ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902025-07-0181756957210.1107/S2056989025004980dx2067Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazoleEkaterina Kinshakova0Batirbay Torambetov1Manoj K Bharty2Aziz Atashov3Abdusamat Rasulov4Shakhnoza Kadirova5Rajesh G Gonnade6National 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, UzbekistanDepartment of Chemistry, Banaras Hindu University, Varanasi 221 005, 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, UzbekistanPhysical and Material Chemistry Division, CSIR-National Chemical Laboratory, Pune, 411008, IndiaThe title compound, C6H5N3S3, consists of two biologically relevant heterocyclic units, suggesting potential biological activity and possible use as a ligand in metal complexation. The compound crystallizes in the monoclinic space group P21/c and features non-classical intermolecular C—H...N hydrogen bonds, along with π–π stacking interactions that contribute to the crystal cohesion. Hirshfeld surface analysis highlights significant intermolecular interactions including, among others, N...H/H...N, S...H/H...S, and S...C/C...S contacts.https://journals.iucr.org/paper?S20569890250049801,3,4-thiadiazole1,3-thiazolec—h...n interactioncrystal structurehirshfeld surface analysis |
| spellingShingle | Ekaterina Kinshakova Batirbay Torambetov Manoj K Bharty Aziz Atashov Abdusamat Rasulov Shakhnoza Kadirova Rajesh G Gonnade Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole Acta Crystallographica Section E: Crystallographic Communications 1,3,4-thiadiazole 1,3-thiazole c—h...n interaction crystal structure hirshfeld surface analysis |
| title | Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole |
| title_full | Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole |
| title_fullStr | Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole |
| title_full_unstemmed | Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole |
| title_short | Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole |
| title_sort | synthesis crystal structure and hirshfeld surface analysis of 5 methyl 2 1 3 thiazol 2 yl sulfanyl 1 3 4 thiadiazole |
| topic | 1,3,4-thiadiazole 1,3-thiazole c—h...n interaction crystal structure hirshfeld surface analysis |
| url | https://journals.iucr.org/paper?S2056989025004980 |
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