Crystal structure of ,'-di-decyl-pyromellitic di-imide.

Acta Crystallogr E Crystallogr Commun

Department of Chemistry (BK21 plus) and Research Institute of Natural Sciences, Gyeongsang National University, Jinju 52828, Republic of Korea.

Published: June 2017

The title compound, CHNO [systematic name: 2,6-di-decyl-pyrrolo-[3,4-]iso-indole-1,3,5,7(2,6)-tetra-one], consists of a central pyromellitic di-imide moiety with terminal decyl groups at the N-atom positions. The centre of the mol-ecule lies on a crystallographic inversion centre so the asymmetric unit contains one half-mol-ecule. The mol-ecule exhibits a rod-shaped conformation, like other similar compounds of this type, the distance between the ends of terminal decyl groups being 32.45 Å. The packing is dominated by a lamellar arrangement of the mol-ecules, which is reinforced by C-H⋯O hydrogen bonds and C-O⋯π inter-actions, forming a classic herringbone structure. The mol-ecular structure is consistent with the theoretical calculations performed by density functional theory (DFT).

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458305PMC
http://dx.doi.org/10.1107/S2056989017006867DOI Listing

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