Molecules 2006, 11(2), 169-176; doi:10.3390/11020169
Article

Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one

1,* email, 2, 3 and 4
Received: 5 November 2005; in revised form: 10 March 2006 / Accepted: 10 March 2006 / Published: 17 March 2006
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Abstract: 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) å, β = 105.30(2)°, V= 1162.9(4) å3 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 π-π stacking interactions. 2
Keywords: 1; 2; 4-Triazine; 1; 2; 4-triazolo[3; 4-f][1; 2; 4]triazine; X-ray crystal structure; hydrogen bonds.
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MDPI and ACS Style

Hwang, L.-C.; Tu, C.-H.; Wang, J.-H.; Lee, G.-H. Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one. Molecules 2006, 11, 169-176.

AMA Style

Hwang L-C, Tu C-H, Wang J-H, Lee G-H. Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one. Molecules. 2006; 11(2):169-176.

Chicago/Turabian Style

Hwang, Long-Chih; Tu, Chun-Hsie; Wang, Jung-Hui; Lee, Gene-Hsiang. 2006. "Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one." Molecules 11, no. 2: 169-176.

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