Date Published: July 01, 2011
Publisher: International Union of Crystallography
Author(s): Nassir N. Al-Mohammed, Yatimah Alias, Zanariah Abdullah, Hamid Khaledi.
The title butterfly-shaped molecule, C11H6N2O2, is folded slightly along the O=C⋯C=O line, the dihedral angle between the two parts being 6.42 (3)°. In the crystal, adjacent molecules are linked through C—H⋯O hydrogen bonds into infinite layers parallel to the ac plane. The layers are further connected into a three-dimensional netweork via π–π interactions formed between pairs of antiparallel arranged molecules, with a centroid–centroid distance between the central six-membered ring and the benzene ring of 3.4349 (9) Å.
For the structure of isoquinolinedione-pyrrole fused system in 1,3-dinitropyrrolo[1,2-b]isoquinoline-5,10-dione, see: Du & Hitchcock (1992 ▶).