Title of article :
Crystal structure of N,N′-di­decyl­pyromellitic di­imide
Author/Authors :
Im, Hansu Department of Chemistry (BK21 plus) and Research Institute of Natural Sciences - Gyeongsang National University, Republic of Korea , Choi, Myong Yong Department of Chemistry (BK21 plus) and Research Institute of Natural Sciences - Gyeongsang National University, Republic of Korea , Moon, Cheol Joo Department of Chemistry (BK21 plus) and Research Institute of Natural Sciences - Gyeongsang National University, Republic of Korea , Kim, Tae Ho Department of Chemistry (BK21 plus) and Research Institute of Natural Sciences - Gyeongsang National University, Republic of Korea
Pages :
9
From page :
1
To page :
9
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 Å. The packing is dominated by a lamellar arrangement of the mol­ecules, which is reinforced by C—H⋯O hydrogen bonds and C—O⋯π inter­actions, forming a classic herringbone structure. The mol­ecular structure is consistent with the theoretical calculations performed by density functional theory (DFT).
Keywords :
crystal structure , theoretical calculations , pyromellitic di­imide , hydrogen bond
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2017
Full Text URL :
Record number :
2621846
Link To Document :
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