organic compounds
Open access
The title compound, C13H16N4O3S2·H2O, crystallizes in a `folded' conformation with the ester group lying over the carbamoyl moiety, with one solvent water molecule. The molecular conformation is stabilized by an intramolecular C—HO hydrogen bond, and an N—HO hydrogen-bonding interaction involving the lattice water molecule. The packing involves N—HN, N—HO, O—HN and O—HO hydrogen bonds and consists of tilted layers running approximately parallel to the c axis, with the ester groups on the outer sides of the layers and with channels running parallel to (101).
organic compounds
Open access
In the title compound, C14H13N5OS, the dihedral angle between the fused ring system (r.m.s. deviation = 0.028 Å) and the phenyl ring is 48.24 (4)°. The molecule features both an intramolecular N—HO and an N—HN hydrogen bond. In the crystal, molecules are linked by N—HO and N—HN hydrogen bonds, generating a three-dimensional network. A weak N—Hπ interaction is also observed.
Keywords: crystal structure.