Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)


organic compounds



lh5568 scheme

Acta Cryst. (2013). E69, o330-o331    [ doi:10.1107/S1600536813002894 ]

1-(2-Furoyl)-3-(2-methoxy-4-nitrophenyl)thiourea

S. Pratap, D. P. Singh, S. K. Gupta, S. Ö. Yildirim and R. J. Butcher

Abstract: The asymmetric unit of the title compound, C13H11N3O5S, contains two independent molecules, which are linked by a pair of intermolecular N-H...S hydrogen bonds, forming an R22(8) ring motif. The central thiourea core forms dihedral angles of 3.02 (12) and 14.00 (10)° with the essentially planar furoyl groups [maximum deviations = 0.030 (2) and 0.057 (2) Å] in the two molecules and dihedral angles of 2.43 (13) and 8.03 (12)° with the benzene rings. The dihedral angles between the furoyl and benzene rings in the two molecules are 3.97 (10) and 5.98 (9)°. The trans-cis geometry of the thiourea group is stabilized by three intramolecular N-H...O hydrogen bonds involving carbonyl and methoxy O atoms with the H atom of the cis-thioamide group and between furan O atom and the other thioamide H atom. There is also a weak intramolecular C-H...S interaction in each molecule.


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