Synthesis and Molecular Structure of 6-Amino-3-benzyl- mercapto-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(7 H )-one ( 4 ), molecular formula C 11 H 10 N 6 OS, was obtained by the reaction of 3-amino-2-benzyl-6-hydrazino-1,2,4-triazin-5(2 H )-one ( 3 ) with carbon disulfide in a water/pyridine mixture. Compound 4 can al...
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| Published in | Molecules (Basel, Switzerland) Vol. 11; no. 2; pp. 169 - 176 |
|---|---|
| Main Authors | , , , |
| Format | Journal Article |
| Language | English |
| Published |
MDPI
17.03.2006
|
| Online Access | Get full text |
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| Summary: | The title compound 6-amino-3-benzylmercapto-1,2,4-triazolo[3,4-
f
][1,2,4]- triazin-8(7
H
)-one (
4
), molecular formula C
11
H
10
N
6
OS, was obtained by the reaction of 3-amino-2-benzyl-6-hydrazino-1,2,4-triazin-5(2
H
)-one (
3
) with carbon disulfide in a water/pyridine mixture. Compound
4
can also be synthesized by reacting 6-amino-3(2
H
)mercapto-1,2,4-triazolo[3,4-
f
][1,2,4]triazin-8(7
H
)-one (
7
) with benzyl bromide in methanolic ammonia water. The compound crystallizes in the monoclinic space group
P
2
1
/c
with
a
= 7.2926(15),
b
= 14.456(2),
c
= 11.436(2) Å,
β
= 105.30(2)°,
V
= 1162.9(4) Å
3
and Z = 4, resulting in a density
D
calc
of 1.567 g/cm
3
. Molecules of
4
are linked by extensive intermolecular N-H···N and N-H···O hydrogen bonding [graph set
R
2
2
(9)]. The structure is further stabilized by π-π stacking interactions. |
|---|---|
| ISSN: | 1420-3049 |
| DOI: | 10.3390/11020169 |