Crystal structure of N,N'-bis-[3-(methyl-sulfan-yl)prop-yl]-1,8:4,5-naphthalene-tetra-carb-oxy-lic di-imide.

ABSTRACT: The title compound, C₂₂H₂₂N₂O₄S₂, was synthesized by the reaction of 1,4,5,8-naphthalene-tetra-carb-oxy-lic dianhydride with 3-(methyl-sulfan-yl)propyl-amine. The whole mol-ecule is generated by an inversion operation of the asymmetric unit. This mol-ecule has an anti form with the terminal methyl-thio-propyl groups above and below the aromatic di-imide plane, where four intra-molecular C-H⋯O and C-H⋯S hydrogen bonds are present and the O⋯H⋯S angle is 100.8°. DFT calculations revealed slight differences between the solid state and gas phase structures. In the crystal, C-H⋯O and C-H⋯S hydrogen bonds link the mol-ecules into chains along the [2 direction. adjacent chains are inter-connected by π-π inter-actions, forming a two-dime

SUBMITTER: Park J 

PROVIDER: S-EPMC6658963 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature