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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 disorder 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 |
URI: | http://hdl.handle.net/2289/7461 |
ISSN: | 2056-9890 |
Alternative Location: | https://doi.org/10.1107/S2056989020002212 |
Copyright: | 2020 International Union of Crystallography |
Appears in Collections: | Research Papers (LAMP) |
Files in This Item:
File | Description | Size | Format | |
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2020_Acta Cryst E_Vol.76_p417-422.pdf | Open Access | 998.71 kB | Adobe PDF | View/Open |
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