Research Information System
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.78, pp.732-736, 2022 (ESCI)
The molecule of the title compound, C14H8Br3N3O2, consists of three almost planar groups: the central dibromoethenyldiazene fragment and two attached aromatic rings. The mean planes of these rings form dihedral angles with the plane of the central fragment of 26.35 (15) and 72.57 (14)degrees for bromine- and nitro-substituted rings, respectively. In the crystal, C-H center dot center dot center dot Br interactions connect molecules, generating zigzag C(8) chains along the [100] direction. These chains are linked by C-Br center dot center dot center dot pi interactions into layers parallel to (001). van der Waals interactions between the layers aid in the cohesion of the crystal packing. The most substantial contributions to crystal packing, according to a Hirshfeld surface analysis, are from Br center dot center dot center dot H/H center dot center dot center dot Br (20.9%), C center dot center dot center dot H/H center dot center dot center dot C (15.2%), O center dot center dot center dot H/H center dot center dot center dot O (12.6%) and H center dot center dot center dot H (11.7%) contacts.