학술논문

Crystal structure and Hirshfeld surface analysis of (E)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(4-nitrophenyl)ethenyl]diazene
Document Type
article
Source
Acta Crystallographica Section E: Crystallographic Communications, Vol 78, Iss 7, Pp 732-736 (2022)
Subject
crystal structure
non-covalent interactions
c—h...br interactions
c(8) chains
hirshfeld surface analysis
Crystallography
QD901-999
Language
English
ISSN
2056-9890
20569890
Abstract
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)° for bromine- and nitro-substituted rings, respectively. In the crystal, C—H...Br interactions connect molecules, generating zigzag C(8) chains along the [100] direction. These chains are linked by C—Br...π 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...H/H...Br (20.9%), C...H/H...C (15.2%), O...H/H...O (12.6%) and H...H (11.7%) contacts.