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4-[(E)-(4-Fluoro-benzyl-idene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: In the asymmetric unit of the title compound, C(10)H(9)FN(4)S, there are two independent mol-ecules in which the dihedral angles between the 1,2,4-triazole and benzene rings are 36.85?(10) and 7.81?(10)°. In the crystal, N-H?S inter-actions link pairs of independent mol-ecules into dimers. There are also ?-? inter-actions between the triazole and benzene rings of inversion-related pairs of the more planar mol-ecule [centroid-centroid distance = 3.6430?(13)?Å].

SUBMITTER: Devarajegowda HC

PROVIDER: S-EPMC3379215 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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4-[(E)-(4-Fluoro-benzyl-idene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione.

Devarajegowda H C HC Jeyaseelan S S Sathishkumar R R D'souza Agnes Sylvia AS D'souza Alphonsus A

Acta crystallographica. Section E, Structure reports online 20120505 Pt 6

In the asymmetric unit of the title compound, C(10)H(9)FN(4)S, there are two independent mol-ecules in which the dihedral angles between the 1,2,4-triazole and benzene rings are 36.85 (10) and 7.81 (10)°. In the crystal, N-H⋯S inter-actions link pairs of independent mol-ecules into dimers. There are also π-π inter-actions between the triazole and benzene rings of inversion-related pairs of the more planar mol-ecule [centroid-centroid distance = 3.6430 (13) Å]. ...[more]

PMID: 22719413

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