Ethyl 2-(3-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate.

Acta Crystallogr Sect E Struct Rep Online

Department of Chemistry, Siedlce University, ul. 3 Maja 54, 08-110 Siedlce, Poland.

Published: December 2012

The title compound, C7H11N3O2S, exists in the 5-thioxo tautomeric form. The 1,2,4-triazoline ring is essentially planar, with a maximum deviation of 0.010 (2) Å for the substituted N atom. The ethyl acetate substituent is almost planar, with a maximum deviation of 0.061 (4) Å for the methyl-ene C atom of the eth-oxy group. The angle between the mean plane of this substituent and the mean plane of the 1,2,4-triazoline ring is 89.74 (8)°. In the crystal, mol-ecules are linked by a combination of N-H⋯S, C-H⋯N and C-H⋯O hydrogen bonds into chains parallel to [100].

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588816PMC
http://dx.doi.org/10.1107/S1600536812044716DOI Listing

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