Date Published: May 01, 2010
Publisher: International Union of Crystallography
Author(s): Rafael Mendoza-Meroño, Laura Menéndez-Taboada, Eva Fernández-Zapico, Santiago García-Granda.
In the title compound, C14H13N3S·H2O, the thiosemicarbazide group is nearly planar, with a maximum deviation of 0.072 (2) Å from the ideal least-squares plane, and shows an E conformation. In the crystal packing, the water molecules are involved in an extensive intermolecular N—H⋯O hydrogen-bond network, assisted by O—H⋯S interactions, which link the independent molecules into chains extended along b axis. An intramolecular hydrogen N—H⋯N bond helps to stabilize the molecular conformation.
For the biological activity and potential medical applications of thiosemicarbazides, see: West et al. (1991 ▶). For thiosemicarbazides as ligands, see: Kowol et al. (2007 ▶).