Crystal structure of 3-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea

Abstract

In the asymmetric unit of the title compound, C16H17N3O2S, there are two independent molecules (A and B), which show an E conformation with respect to the C=N bond. An intramolecular O—H...N hydrogen bond with an S(6) motif stabilizes the molecular structure. The terminal phenyl and benzene rings are almost orthogonal to each other, the dihedral angle being 87.47 (13)° for molecule A and 89.86 (17)° for molecule B. In the crystal, weak bifurcated N—H...(O,O) hydrogen bonds link the two independent molecules, forming a supramolecular chain with a C21(14)[R21(5)] motif along the b axis. A weak C—H...O interaction is also observed in the chain.

Keywords

• crystal structure
• hydrazinecarbothioamide
• thiourea derivatives
• α-N-heterocyclic
• hydrogen bonding