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Crystal structure and Hirshfeld surface analysis of 4-{2,2-di-chloro-1-[(E)-2-(4-methyl-phen-yl)diazen-1-yl]ethen-yl}-N,N-di-methyl-aniline.

ABSTRACT: In the tile compound, C17H17Cl2N3, the dihedral angle between the benzene rings is 62.73?(9)°. In the crystal, there are no classical hydrogen bonds. Mol-ecules are linked by a pair of C-Cl?? inter-actions, forming an inversion dimer. A short inter-molecular HL?HL contact [Cl?Cl = 3.2555?(9)?Å] links the dimers, forming a ribbon along the c-axis direction. The Hirshfeld surface analysis and two-dimensional fingerprint plots reveal that the most important contributions for the crystal packing are from H?H (45.4%), Cl?H/H?Cl (21.0%) and C?H/H?C (19.0%) contacts.

SUBMITTER: Ozkaraca K

PROVIDER: S-EPMC7336769 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 4-{2,2-di-chloro-1-[(E)-2-(4-methyl-phen-yl)diazen-1-yl]ethen-yl}-N,N-di-methyl-aniline.

Özkaraca Kadriye K Akkurt Mehmet M Shikhaliyev Namiq Q NQ Askerova Ulviyya F UF Suleymanova Gulnar T GT Mammadova Gunay Z GZ Mlowe Sixberth S

Acta crystallographica. Section E, Crystallographic communications 20200619 Pt 7

In the tile compound, C17H17Cl2N3, the dihedral angle between the benzene rings is 62.73 (9)°. In the crystal, there are no classical hydrogen bonds. Mol-ecules are linked by a pair of C-Cl⋯π inter-actions, forming an inversion dimer. A short inter-molecular HL⋯HL contact [Cl⋯Cl = 3.2555 (9) Å] links the dimers, forming a ribbon along the c-axis direction. The Hirshfeld surface analysis and two-dimensional fingerprint plots reveal ...[more]

PMID: 32695464

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