Ontology highlight
ABSTRACT:
SUBMITTER: Affan MA
PROVIDER: S-EPMC2983601 | biostudies-literature | 2010 Feb
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20100206 Pt 3
In the title compound, C(17)H(18)N(4)O(2)S·H(2)O, the thio-urea derivative is almost planar, with an r.m.s. deviation for the non-H atoms of 0.057 Å. The hydroxyl groups lie to the same side of the mol-ecule as the thione S atom, a conformation that allows the formation of intra-molecular O-H⋯S and O-H⋯N hydrogen bonds. In the crystal structure, the thio-urea and water mol-ecules self-assemble into a two-dimensional array by a combination of O(water)-H⋯O(hydrox-yl), N-H⋯O(water) and O(water)-H⋯S ...[more]