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(E)-1-(2,6-Di-chloro-phen-yl)-2-(3-nitro-benzyl-idene)hydrazine: crystal structure and Hirshfeld surface analysis.

ABSTRACT: The stabilized conformation of the title compound, C13H9Cl2N3O2, is similar to that of the isomeric compound (E)-1-(2,6-di-chloro-phen-yl)-2-(2-nitro-benzyl-idene)hydrazine. The 2,6-di-chloro-phenyl ring and the nitro-substituted benzene ring form a dihedral angle of 26.25?(16)°. In the crystal, face-to-face ?-? stacking inter-actions along the a-axis direction occur between the centroids of the 2,6-di-chloro-phenyl ring and the nitro-substituted benzene ring. The mol-ecules are further linked by C-H?O contacts and N-H?O and C-H?Cl hydrogen bonds, forming pairs of hydrogen-bonded mol-ecular layers parallel to (100). The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H?H (22.1%), Cl?H/H?Cl (20.5%), O?H/H?O (19.7%), C?C (11.1%) and C?H/H?C (8.3%) inter-actions.

SUBMITTER: Atioglu Z 

PROVIDER: S-EPMC7405561 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature

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(<i>E</i>)-1-(2,6-Di-chloro-phen-yl)-2-(3-nitro-benzyl-idene)hydrazine: crystal structure and Hirshfeld surface analysis.

Atioğlu Zeliha Z   Akkurt Mehmet M   Shikhaliyev Namiq Q NQ   Suleymanova Gulnar T GT   Babayeva Gulnare V GV   Gurbanova Nurana V NV   Mammadova Gunay Z GZ   Mlowe Sixberth S  

Acta crystallographica. Section E, Crystallographic communications 20200717 Pt 8

The stabilized conformation of the title compound, C<sub>13</sub>H<sub>9</sub>Cl<sub>2</sub>N<sub>3</sub>O<sub>2</sub>, is similar to that of the isomeric compound (<i>E</i>)-1-(2,6-di-chloro-phen-yl)-2-(2-nitro-benzyl-idene)hydrazine. The 2,6-di-chloro-phenyl ring and the nitro-substituted benzene ring form a dihedral angle of 26.25 (16)°. In the crystal, face-to-face π-π stacking inter-actions along the <i>a</i>-axis direction occur between the centroids of the 2,6-di-chloro-phenyl ring and th  ...[more]

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