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

ABSTRACT: The title compound, C30H44N2O4 [systematic name: 2,6-di-decyl-pyrrolo-[3,4-f]iso-indole-1,3,5,7(2H,6H)-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?? inter-actions, forming a classic herringbone structure. The mol-ecular structure is consistent with the theoretical calculations performed by density functional theory (DFT).

SUBMITTER: Im H

PROVIDER: S-EPMC5458305 | biostudies-literature | 2017 Jun

REPOSITORIES: biostudies-literature

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

Im Hansu H Choi Myong Yong MY Moon Cheol Joo CJ Kim Tae Ho TH

Acta crystallographica. Section E, Crystallographic communications 20170512 Pt 6

The title compound, C30H44N2O4 [systematic name: 2,6-di-decyl-pyrrolo-[3,4-f]iso-indole-1,3,5,7(2H,6H)-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, ...[more]

PMID: 28638640

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