Whole-mol-ecule disorder of the Schiff base compound 4-chloro-N -(4-nitro-benzyl-idene)aniline: crystal structure and Hirshfeld surface analysis

Acta Crystallographica. Section E, Crystallographic Communications
Sundararaman LeelaHelen Stoeckli-Evans

Abstract

In the crystal of the title Schiff base compound, C13H9ClN2O2, [CNBA; systematic name: (E)-N-(4-chloro-phen-yl)-1-(4-nitro-phen-yl)methanimine], the CNBA mol-ecule shows whole-mol-ecule disorder (occupancy ratio 0.65:0.35), with the disorder components related by a twofold rotation about the shorter axis of the mol-ecule. 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 inter-actions 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.

References

Oct 3, 2002·Acta Crystallographica. Section C, Crystal Structure Communications·Xinjiang HuangTatiana V Timofeeva
Sep 16, 2004·Acta Crystallographica. Section B, Structural Science·Jun HaradaKeiichiro Ogawa
Sep 16, 2004·Acta Crystallographica. Section B, Structural Science·Jun HaradaKeiichiro Ogawa
Dec 25, 2007·Acta Crystallographica. Section A, Foundations of Crystallography·George M Sheldrick
Jan 26, 2008·Chemical Communications : Chem Comm·Joshua J McKinnonMark A Spackman
Jan 9, 2015·Acta Crystallographica. Section C, Structural Chemistry·George M Sheldrick
Apr 17, 2015·Acta Crystallographica. Section E, Crystallographic Communications·Zeliha AtioğluOrhan Büyükgüngör
Apr 7, 2016·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Colin R GroomSuzanna C Ward
Mar 15, 2019·Acta Crystallographica. Section E, Crystallographic Communications·Sang Loon TanEdward R T Tiekink
Jan 11, 2020·Acta Crystallographica. Section E, Crystallographic Communications·Anthony L Spek
Feb 13, 2020·Journal of Applied Crystallography·Clare F MacraePeter A Wood

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Methods Mentioned

BETA
neutron diffraction

Software Mentioned

CrystalExplorer17

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