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

The title compound, C(7)H(11)N(3)O(2)S, 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...

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Detalles Bibliográficos
Autores principales: Karczmarzyk, Zbigniew, Pitucha, Monika, Wysocki, Waldemar, Fruziński, Andrzej, Olender, Ewa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588816/
https://www.ncbi.nlm.nih.gov/pubmed/23468781
http://dx.doi.org/10.1107/S1600536812044716
Descripción
Sumario:The title compound, C(7)H(11)N(3)O(2)S, 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 methyl­ene C atom of the eth­oxy 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, mol­ecules 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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