Date Published: May 01, 2012
Publisher: International Union of Crystallography
Author(s): Durre Shahwar, M. Nawaz Tahir, Muhammad Mansha Chohan, Muhammad Akmal Khan, Nadeem Ahmad.
In the title compound, C9H9N3O3S, the benzene ring and the N-carbamothioylacetamide unit are oriented at a dihedral angle of 54.82 (4)°. The dihedral angle between the ring and its attached nitro group is 28.54 (12)°. An intramolecular, bifurcated N—H⋯(O,O) hydrogen bond generates two S(6) rings. In the crystal, inversion dimers linked by pairs of N—H⋯S hydrogen bonds generate R22(8) loops. Weak C—H⋯O interactions link the dimers.
For related structures, see: Shahwar et al. (2012a ▶,b ▶,c ▶). For graph–set notation, see: Bernstein et al. (1995 ▶).