Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one
The title compound 6-amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]-triazin-8(7H)-one (4), molecular formula C11H10N6OS, was obtained by the reaction of3-amino-2-benzyl-6-hydrazino-1,2,4-triazin-5(2H)-one (3) with carbon disulfide in awater/pyridine mixture. Compound 4 can also be synthesized b...
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MDPI AG
2006-03-01
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| Series: | Molecules |
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| Online Access: | http://www.mdpi.com/1420-3049/11/2/169/ |
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| author | Gene-Hsiang Lee Jung-Hui Wang Chun-Hsie Tu Long-Chih Hwang |
| author_facet | Gene-Hsiang Lee Jung-Hui Wang Chun-Hsie Tu Long-Chih Hwang |
| author_sort | Gene-Hsiang Lee |
| collection | DOAJ |
| description | The title compound 6-amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]-triazin-8(7H)-one (4), molecular formula C11H10N6OS, was obtained by the reaction of3-amino-2-benzyl-6-hydrazino-1,2,4-triazin-5(2H)-one (3) with carbon disulfide in awater/pyridine mixture. Compound 4 can also be synthesized by reacting6-amino-3(2H)mercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one (7) with benzylbromide in methanolic ammonia water. The compound crystallizes in the monoclinicspace group P21/c with a = 7.2926(15), b = 14.456(2), c = 11.436(2) Ã¥, β = 105.30(2)°, V= 1162.9(4) Ã¥3 and Z = 4, resulting in a density Dcalc of 1.567 g/cm3. Molecules of 4 arelinked by extensive intermolecular N-H···N and N-H···O hydrogen bonding [graph set R22 (9)]. The structure is further stabilized by À-À stacking interactions. 2 |
| first_indexed | 2024-12-20T07:36:47Z |
| format | Article |
| id | doaj.art-2336168aab1e4f85a271a960f4ab9376 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-12-20T07:36:47Z |
| publishDate | 2006-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-2336168aab1e4f85a271a960f4ab93762022-12-21T19:48:15ZengMDPI AGMolecules1420-30492006-03-0111216917610.3390/11020169Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-oneGene-Hsiang LeeJung-Hui WangChun-Hsie TuLong-Chih HwangThe title compound 6-amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]-triazin-8(7H)-one (4), molecular formula C11H10N6OS, was obtained by the reaction of3-amino-2-benzyl-6-hydrazino-1,2,4-triazin-5(2H)-one (3) with carbon disulfide in awater/pyridine mixture. Compound 4 can also be synthesized by reacting6-amino-3(2H)mercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one (7) with benzylbromide in methanolic ammonia water. The compound crystallizes in the monoclinicspace group P21/c with a = 7.2926(15), b = 14.456(2), c = 11.436(2) Ã¥, β = 105.30(2)°, V= 1162.9(4) Ã¥3 and Z = 4, resulting in a density Dcalc of 1.567 g/cm3. Molecules of 4 arelinked by extensive intermolecular N-H···N and N-H···O hydrogen bonding [graph set R22 (9)]. The structure is further stabilized by À-À stacking interactions. 2http://www.mdpi.com/1420-3049/11/2/169/124-Triazine124-triazolo[34-f][124]triazineX-ray crystal structurehydrogen bonds. |
| spellingShingle | Gene-Hsiang Lee Jung-Hui Wang Chun-Hsie Tu Long-Chih Hwang Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one Molecules 1 2 4-Triazine 1 2 4-triazolo[3 4-f][1 2 4]triazine X-ray crystal structure hydrogen bonds. |
| title | Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one |
| title_full | Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one |
| title_fullStr | Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one |
| title_full_unstemmed | Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one |
| title_short | Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one |
| title_sort | synthesis and molecular structure of 6 amino 3 benzylmercapto 1 2 4 triazolo 3 4 f 1 2 4 triazin 8 7h one |
| topic | 1 2 4-Triazine 1 2 4-triazolo[3 4-f][1 2 4]triazine X-ray crystal structure hydrogen bonds. |
| url | http://www.mdpi.com/1420-3049/11/2/169/ |
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