(E)-3-Methyl-4-[(2-oxidoquinolin-1-ium-3-yl)methyl-eneamino]-1H-1,2,4-triazole-5(4H)-thione N,N-dimethyl-formamide solvate.

ABSTRACT: The title 1,2,4-triazole compound, C(13)H(11)N(5)OS·C(3)H(7)NO, crystallizes as a 1:1 dimethyl-formamide (DMF) solvate. The main mol-ecule exists in a trans configuration with respect to the acyclic C=N bond. An intra-molecular C-H⋯S hydrogen bond generates an S(6) ring motif. In the synthesis, a proton is transferred from the O atom of a hydr-oxy group to the quinoline group N atom. The essentially planar triazole ring and quinoline ring system [maximum deviations of 0.001 (2) and 0.013 (2) Å, respectively] form a dihedral angle of 5.86 (9)°. In the crystal structure, mol-ecules of (E)-4-[(2-hydroxy-3--quinolyl)methyl-eneamino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione are linked into R(2) (2)(8) centrosymmteric dimers via N-H⋯O hydrogen bonds. These dimers are further linked into an extend

SUBMITTER: Goh JH 

PROVIDER: S-EPMC2972175 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature