Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)


organic compounds



lh5548 scheme

Acta Cryst. (2012). E68, o3300-o3301    [ doi:10.1107/S1600536812044029 ]

3-[(Furan-2-yl)carbonyl]-1-(pyrimidin-2-yl)thiourea

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

Abstract: The title compound, C10H8N4O2S, was synthesized from furoyl isothiocynate and 2-aminopyrimidine in dry acetone. The two N-H groups are in an anti conformation with respect to each other and one N-H group is anti to the C=S group while the other is syn. The amide C=S and the C=O groups are syn to each other. The mean plane of the central thiourea fragment forms dihedral angles of 13.50 (14) and 5.03 (11)° with the furan and pyrimidine rings, respectively. The dihedral angle between the furan and pyrimidine rings is 18.43 (10)°. The molecular conformation is stabilized by an intramolecular N-H...N hydrogen bond generating an S(6) ring motif. In the crystal, molecules are linked by pairs of N-H...N and weak C-H...S hydrogen bonds to form inversion dimers.


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