Crystal structure and Hirshfeld surface analysis of a Schiff base: (Z)-6-[(5-chloro-2-meth-oxy-anilino)methyl-idene]-2-hy-droxy-cyclo-hexa-2,4-dien-1-one.

ABSTRACT: The title compound, C₁₄H₁₂ClNO₃, is a Schiff base that exists in the keto-enamine tautomeric form and adopts a Z configuration. In the crystal, the dihedral angle between the planes of the benzene rings is 5.34?(15)°. The roughly planar geometry of the mol-ecule is stabilized by a strong intra-molecular N-H?O hydrogen bond. In the crystal, pairs of centrosymmetrically related mol-ecules are linked by O-H?O hydrogen bonds, forming R ₂ ²(10) rings. Besides this, the mol-ecules form stacks along the [001] direction with C-H?? and C-H?Cl contacts between the stacks. The inter-molecular inter-actions in the crystal were analysed using Hirshfeld surfaces. The most significant contribution to the crystal packing is from H?H contacts (30.8%).

SUBMITTER: Demir Kanmazalp S 

PROVIDER: S-EPMC6399700 | biostudies-literature | 2019 Mar

REPOSITORIES: biostudies-literature