Date Published: July 01, 2011
Publisher: International Union of Crystallography
Author(s): Fernanda Rosi Soares Pederzolli, Leandro Bresolin, Vanessa Santana Carratu, Aline Locatelli, Adriano Bof de Oliveira.
In the crystal structure of the title compound, C9H7BrN4OS·C2H3N, the molecules are connected via N—H⋯O and N—H⋯S interactions into zigzag chains perpendicular to . The molecules in these chains are additionally linked to acetonitrile solvent molecules through N—H⋯N hydrogen bonding. The molecules are arranged in layers and are stacked in the direction of the c axis indicative of π–π interactions, with distance = 3.381 (7) Å for the C⋯C interaction parallel to . An intramolecular N—H⋯O hydrogen bond is also observed in the main molecule.
For the pharmacological properties of isatin-thiosemicarbazone derivatives against cruzain, falcipain-2 and rhodesain, see: Chiyanzu et al. (2003 ▶). For the synthesis of 5-bromoisatin-3-thiosemicarbazone, see: Campaigne & Archer (1952 ▶).