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

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Atioglu Z., AKKURT M., Shikhaliyev N. Q., Mukhtarova S. H., Suleymanova G. T., Toze F. A. A.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.76, pp.1033-1047, 2020 (ESCI, Scopus)

• Publication Type: Article / Article
• Volume: 76
• Publication Date: 2020
• Doi Number: 10.1107/s2056989020007549
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.1033-1047
• Erciyes University Affiliated: Yes

Abstract

The title compound, C16H14Cl3N3, comprises three molecules of similar shape in the asymmetric unit. The crystal cohesion is ensured by intermolecular C-H center dot center dot center dot N and C-H center dot center dot center dot Cl hydrogen bonds in addition to C-Cl center dot center dot center dot pi interactions. Hirshfeld surface analysis and two-dimensional fingerprint plots reveal that Cl center dot center dot center dot H/H center dot center dot center dot Cl (33.6%), H center dot center dot center dot H (27.9%) and C center dot center dot center dot H/H center dot center dot center dot C (17.6%) are the most important contributors towards the crystal packing.