Whole-molecule disorder of the Schiff base compound 4-chloro-N-(4-nitrobenzylidene)aniline: crystal structure and Hirshfeld surface analysis

Leela, Sundararaman and Subashini, Ashokkumar and Reji, Philip and Ramamurthi, Kandasami and Stoeckli-Evans, Helen (2020) Whole-molecule disorder of the Schiff base compound 4-chloro-N-(4-nitrobenzylidene)aniline: crystal structure and Hirshfeld surface analysis. Acta Crystallographica Section E Crystallographic Communications, 76 (3). pp. 417-422. ISSN 2056-9890

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Abstract

In the crystal of the title Schiff base compound, C<inf>13</inf>H<inf>9</inf>ClN<inf>2</inf>O<inf>2</inf>, [CNBA; systematic name: (E)-N-(4-chlorophenyl)-1-(4-nitrophenyl)methanimine], the CNBA molecule shows whole-molecule disorder (occupancy ratio 0.65:0.35), with the disorder components related by a twofold rotation about the shorter axis of the molecule. The aromatic rings are inclined to each other by 39.3 14;(5)° in the major component and by 35.7 14;(9)° in the minor component. In the crystal, C-H O hydrogen bonds predominate in linking the major components, while weak C-H Cl interactions predominate in linking the minor components. The result is the formation of corrugated layers lying parallel to the ac plane. The crystal packing was analysed using Hirshfeld surface analysis and compared with related structures. © 2020 Elsevier B.V., All rights reserved.

Item Type: Article
Subjects: Chemistry > Inorganic Chemistry
Divisions: Arts and Science > School of Arts and Science, Chennai > Physics
Depositing User: Unnamed user with email techsupport@mosys.org
Last Modified: 04 Dec 2025 11:47
URI: https://vmuir.mosys.org/id/eprint/3468

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