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Crystal structure and Hirshfeld surface analysis of (E)-1-(2,6-di-chloro-phen-yl)-2-(2-nitro-benzyl-idene)hydrazine.

ABSTRACT: In the title compound, C13H9Cl2N3O2, the 2,6-di-chloro-phenyl ring and the nitro-substituted benzene ring form a dihedral angle of 21.16?(14)°. In the crystal, face-to-face ?-? stacking inter-actions occur along the a-axis direction between the centroids of the 2,6-di-chloro-phenyl ring and the nitro-substituted benzene ring. Furthermore, these mol-ecules show intra-molecular N-H?Cl and C-H?O contacts and are linked by inter-molecular N-H?O and C-H?Cl hydrogen bonds, forming pairs of hydrogen-bonded mol-ecular layers parallel to (20). The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H?H (23.0%), O?H/H?O (20.1%), Cl?H/H?Cl (19.0%), C?C (11.2%) and H?C/C?H (8.0%) inter-actions.

SUBMITTER: Celikesir ST 

PROVIDER: S-EPMC7405556 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-(2,6-di-chloro-phen-yl)-2-(2-nitro-benzyl-idene)hydrazine.

Çelikesir Sevim Türktekin ST   Akkurt Mehmet M   Shikhaliyev Namiq Q NQ   Suleymanova Gulnar T GT   Babayeva Gulnare V GV   Gurbanova Nurana V NV   Mammadova Gunay Z GZ   Bhattarai Ajaya A  

Acta crystallographica. Section E, Crystallographic communications 20200703 Pt 8

In the title compound, C<sub>13</sub>H<sub>9</sub>Cl<sub>2</sub>N<sub>3</sub>O<sub>2</sub>, the 2,6-di-chloro-phenyl ring and the nitro-substituted benzene ring form a dihedral angle of 21.16 (14)°. In the crystal, face-to-face π-π stacking inter-actions occur along the <i>a-</i>axis direction between the centroids of the 2,6-di-chloro-phenyl ring and the nitro-substituted benzene ring. Furthermore, these mol-ecules show intra-molecular N-H⋯Cl and C-H⋯O contacts and are linked by inter-molecular  ...[more]

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