[HTML version][PDF version][CIF][3d view][Structure Factors][Supplementary Material][CIF check Report][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2009). E65, o1012  [ doi:10.1107/S1600536809013038 ]

1-Furoyl-3-[3-(trifluoromethyl)phenyl]thiourea

J. E. Theodoro, O. Estévez-Hernández, J. Ellena, J. Duque and R. S. Corrêa

Abstract: The title compound, C13H9F3N2O2S, crystallizes with two independent molecules in the asymmetric unit. The central thiourea core is roughly coplanar with the furan and benzene rings, showing O-C-N-C(S) torsion angles of 2.3 (4) and -11.4 (2)° and (S)C-N-C-C torsion angles of -2.4 (4) and -28.8 (4)°, respectively, in the two independent molecules. The trans-cis geometry of the thiourea fragment is stabilized by an intramolecular N-H...O hydrogen bond between the H atom of the cis thioamide and the carbonyl O atom. In the crystal structure, intermolecular N-H...S hydrogen bonds form centrosymmetric dimers extending along the b axis.

Online 10 April 2009


Copyright © International Union of Crystallography
IUCr Webmaster