[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3264-o3265
[ doi:10.1107/S1600536812044716 ]

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

Z. Karczmarzyk, M. Pitucha, W. Wysocki, A. Fruzinski and E. Olender

Abstract: 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 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].


Copyright © International Union of Crystallography
IUCr Webmaster