3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
In the title compound, C16H12N4OS, the bicyclic triazolothiadiazole core is approximately planar, with an r.m.s. deviation of 0.018 Å. The phenyl rings are inclined to its mean plane by 7.66 (7) and 71.79 (7)°. In the crystal, molecules are linked via a C—H...π interaction and a π–π interaction [int...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016-04-01
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| Series: | IUCrData |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S241431461600626X |
| _version_ | 1811316314932772864 |
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| author | Shaaban K. Mohamed Joel T. Mague Mehmet Akkurt Etify A. Bakhite Mustafa R. Albayati |
| author_facet | Shaaban K. Mohamed Joel T. Mague Mehmet Akkurt Etify A. Bakhite Mustafa R. Albayati |
| author_sort | Shaaban K. Mohamed |
| collection | DOAJ |
| description | In the title compound, C16H12N4OS, the bicyclic triazolothiadiazole core is approximately planar, with an r.m.s. deviation of 0.018 Å. The phenyl rings are inclined to its mean plane by 7.66 (7) and 71.79 (7)°. In the crystal, molecules are linked via a C—H...π interaction and a π–π interaction [intercentroid distance = 3.2942 (9) Å] involving inversion-related triazole rings. These interactions result in the formation of chains propagating along [10-1]. |
| first_indexed | 2024-04-13T11:47:54Z |
| format | Article |
| id | doaj.art-0324f4db6e3c429aa1f66a780ca0cac4 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-04-13T11:47:54Z |
| publishDate | 2016-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-0324f4db6e3c429aa1f66a780ca0cac42022-12-22T02:48:08ZengInternational Union of CrystallographyIUCrData2414-31462016-04-0114x16062610.1107/S241431461600626Xsu40333-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazoleShaaban K. Mohamed0Joel T. Mague1Mehmet Akkurt2Etify A. Bakhite3Mustafa R. Albayati4Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, EnglandDepartment of Chemistry, Tulane University, New Orleans, LA 70118, USADepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TurkeyChemistry Department, Faculty of Science, Assiut University, 71516 Assiut, EgyptKirkuk University, College of Science, Department of Chemistry, Kirkuk, IraqIn the title compound, C16H12N4OS, the bicyclic triazolothiadiazole core is approximately planar, with an r.m.s. deviation of 0.018 Å. The phenyl rings are inclined to its mean plane by 7.66 (7) and 71.79 (7)°. In the crystal, molecules are linked via a C—H...π interaction and a π–π interaction [intercentroid distance = 3.2942 (9) Å] involving inversion-related triazole rings. These interactions result in the formation of chains propagating along [10-1].http://scripts.iucr.org/cgi-bin/paper?S241431461600626Xcrystal structureN-bridged heterocyclestriazolo thiadiazolestriazolesthiadiazolesC—H...π interactionsπ–π interactions |
| spellingShingle | Shaaban K. Mohamed Joel T. Mague Mehmet Akkurt Etify A. Bakhite Mustafa R. Albayati 3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole IUCrData crystal structure N-bridged heterocycles triazolo thiadiazoles triazoles thiadiazoles C—H...π interactions π–π interactions |
| title | 3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
| title_full | 3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
| title_fullStr | 3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
| title_full_unstemmed | 3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
| title_short | 3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
| title_sort | 3 phenoxymethyl 6 phenyl 1 2 4 triazolo 3 4 b 1 3 4 thiadiazole |
| topic | crystal structure N-bridged heterocycles triazolo thiadiazoles triazoles thiadiazoles C—H...π interactions π–π interactions |
| url | http://scripts.iucr.org/cgi-bin/paper?S241431461600626X |
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