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Title: Whole-molecule disorder of the Schiff base compound 4-chloro-N-(4-nitrobenzylidene)aniline: crystal structure and Hirshfeld surface analysis
Authors: Leela, Sundararaman
Subashini, A.
Philip, Reji
Ramamurthi, Kandasamy
Stoeckli-Evans, Helen
Keywords: crystal structure
Schiff bases
non-linear optical properties
hydrogen bonding
Hirshfeld surface analysis
Issue Date: Mar-2020
Publisher: International Union of Crystallography
Citation: Acta Crystallographica section E, 2020, Vol.76, p417–422
Abstract: In the crystal of the title Schiff base compound, C13H9ClN2O2, [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 (5)° in the major component and by 35.7 (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
Description: Open Access
ISSN: 2056-9890
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Copyright: 2020 International Union of Crystallography
Appears in Collections:Research Papers (LAMP)

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