Synthesis and redetermination of the crystal structure of salicyl-aldehyde N(4)-morpholino-thio-semi-carbazone.

ABSTRACT: The structure of the title compound (systematic name: N-{[(2-hy-droxy-phen-yl)methyl-idene]amino}-morpholine-4-carbo-thio-amide), C₁₂H₁₅N₃O₂S, was prev-iously determined (Koo et al., 1977 ?) using multiple-film equi-inclination Weissenberg data, but has been redetermined with higher precision to explore its conformation and the hydrogen-bonding patterns and supra-molecular inter-actions. The mol-ecular structure shows intra-molecular O-H?N and C-H?S inter-actions. The configuration of the C=N bond is E. The mol-ecule is slightly twisted about the central N-N bond. The best planes through the phenyl ring and the morpholino ring make an angle of 43.44?(17)°. In the crystal, the mol-ecules are connected into chains by N-H?O and C-H?O hydrogen bonds, which combine to generate sheets lying parallel to (002). The most prominent contribution to the surface contacts are H?H contacts (51.6%), as concluded from a Hirshfeld surface analysis.

SUBMITTER: Tran Buu D 

PROVIDER: S-EPMC6727042 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature