6,6'-Diheptyl-3,3'-bis-[(pyridin-3-yl)ethyn-yl]-5 H,5' H-di-pyrrolo-[1,2- b:1',2'- g][2,6]naphthyridine-5,5'-dione

IUCrdata. 2023 Jun 9;8(Pt 6):x230513. doi: 10.1107/S2414314623005138. eCollection 2023 Jun.


The complete mol-ecule of the title compound, C42H42N4O2, is generated by a crystallographic centre of symmetry. The pendant heptyl chains adopt extended conformations and the dihedral angle between the pyrrole and pyridine rings is 8.18 (15)°. In the crystal, the mol-ecules are arranged in columnar stacks propagating in the [010] direction via slipped aromatic π-π stacking inter-actions.

Keywords: cross-conjugated dye; crystal structure; di­pyrrolo; photoluminescence spectroscopy.

Grants and funding

We gratefully acknowledge support by the Guizhou Provincial Science and Technology Projects (grant No. ZK[2021]1Y 048).