Title of article :
Whole-molecule disorder of the Schiff base compound 4-chloro-N-(4-nitrobenzylidene)aniline: crystal structure and Hirshfeld surface analysis
Author/Authors :
Leela, Sundararaman Department of Physics - Ethiraj College for Women, India , Subashini, Ashokkumar Crystal Growth and Thin Film Laboratory - School of Physics - Bharathidasan University, India , Reji, Philip Light and Matter Physics Group - Raman Research Institute - C. V. Raman Avenue, India , Ramamurthi, Kandasami Department of Bio-Medical Engineering, Aarupadai Veedu Institute of Technology - Vinayaga Mission's Research Foundation - Vinayaga Nagar, India , Stoeckli-Evans, Helen Institute of Physics - University of Neuchâtel, Switzerland
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.
Keywords :
Schiff bases , non-linear optical properties , Hirshfeld surface analysis , hydrogen bonding , disorder
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
