Whole-molecule disorder of the Schiff base compound 4-chloro-N-(4-nitrobenzylidene)aniline: crystal structure and Hirshfeld surface analysis
| Autor: | Helen Stoeckli-Evans, A. Subashini, Philip Reji, S. Leela, Kandasami Ramamurthi |
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| Rok vydání: | 2020 |
| Předmět: |
crystal structure
Crystal structure 010402 general chemistry 010403 inorganic & nuclear chemistry 01 natural sciences lcsh:Chemistry Crystal chemistry.chemical_compound Aniline hirshfeld surface analysis Mole General Materials Science Schiff base Hydrogen bond schiff bases Aromaticity disorder General Chemistry hydrogen bonding Condensed Matter Physics 0104 chemical sciences Crystallography lcsh:QD1-999 chemistry Nitro non-linear optical properties |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 76, Iss 3, Pp 417-422 (2020) |
| ISSN: | 2056-9890 |
| DOI: | 10.1107/s2056989020002212 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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