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Crystal structure and Hirshfeld surface analysis of (E)-2-(4-bromo-phen-yl)-1-[2,2-di-bromo-1-(4-nitro-phen-yl)ethen-yl]diazene.

ABSTRACT: The mol-ecule of the title compound, C14H8Br3N3O2, consists of three almost planar groups: the central di-bromo-ethenyldiazene 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 inter-actions connect mol-ecules, generating zigzag C(8) chains along the [100] direction. These chains are linked by C-Br⋯π inter-actions into layers parallel to (001). van der Waals inter-actions 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.

SUBMITTER: Akkurt M 

PROVIDER: S-EPMC9260355 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-(4-bromo-phen-yl)-1-[2,2-di-bromo-1-(4-nitro-phen-yl)ethen-yl]diazene.

Akkurt Mehmet M   Yıldırım Sema Öztürk SÖ   Shikhaliyev Namiq Q NQ   Mammadova Naila A NA   Niyazova Ayten A AA   Khrustalev Victor N VN   Bhattarai Ajaya A  

Acta crystallographica. Section E, Crystallographic communications 20220616 Pt 7

The mol-ecule of the title compound, C<sub>14</sub>H<sub>8</sub>Br<sub>3</sub>N<sub>3</sub>O<sub>2</sub>, consists of three almost planar groups: the central di-bromo-ethenyldiazene 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 inter-actions connect mol-ecules, generating zigzag <i>C</i>(8) chains along  ...[more]

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