Crystal structure of N,N '-didecylpyromellitic diimide

Abstract

The title compound, C30H44N2O4 [systematic name: 2,6-didecylpyrrolo[3,4-f]-isoindole-1,3,5,7(2H,6H)-tetraone], consists of a central pyromellitic diimide moiety with terminal decyl groups at the N-atom positions. The centre of the molecule lies on a crystallographic inversion centre so the asymmetric unit contains one half-molecule. The molecule exhibits a rod-shaped conformation, like other similar compounds of this type, the distance between the ends of terminal decyl groups being 32.45 angstrom. The packing is dominated by a lamellar arrangement of the molecules, which is reinforced by C-H center dot center dot center dot O hydrogen bonds and C-O center dot center dot center dot pi interactions, forming a classic herringbone structure. The molecular structure is consistent with the theoretical calculations performed by density functional theory (DFT).