Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[( E )-(4-chlorophenyl)diazenyl]ethenyl}- N , N -dimethylaniline

The title compound, C 16 H 14 Cl 3 N 3 , comprises three molecules of similar shape in the asymmetric unit. The crystal cohesion is ensured by intermolecular C—H...N and C—H...Cl hydrogen bonds in addition to C—Cl...π interactions. Hirshfeld surface analysis and two-dimensional fingerprint plots rev...

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Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2020-07, Vol.76 (7), p.1033-1037
Main Authors: Atioğlu, Zeliha, Akkurt, Mehmet, Shikhaliyev, Namiq Q., Mukhtarova, Sevinc H., Suleymanova, Gulnar T., Toze, Flavien A. A.
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azo dye
crystal structure
hirshfeld surface analysis
non-covalent interactions
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container_title Acta crystallographica. Section E, Crystallographic communications
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creator Atioğlu, Zeliha
Akkurt, Mehmet
Shikhaliyev, Namiq Q.
Mukhtarova, Sevinc H.
Suleymanova, Gulnar T.
Toze, Flavien A. A.
description The title compound, C 16 H 14 Cl 3 N 3 , comprises three molecules of similar shape in the asymmetric unit. The crystal cohesion is ensured by intermolecular C—H...N and C—H...Cl hydrogen bonds in addition to C—Cl...π interactions. Hirshfeld surface analysis and two-dimensional fingerprint plots reveal that Cl...H/H...Cl (33.6%), H...H (27.9%) and C...H/H...C (17.6%) are the most important contributors towards the crystal packing.
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subjects azo dye
crystal structure
hirshfeld surface analysis
non-covalent interactions
title Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[( E )-(4-chlorophenyl)diazenyl]ethenyl}- N , N -dimethylaniline
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